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Result

Total entries: 342539
Page:  / 69 

NameFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
BAS 03421985C18H14N6O3362.3495 / 22.5Yes
SMR000154917C21H21FN4OS396.4845 / 13.9Yes
CHEMBL3105203C24H17F3N2O2S454.4676 / 05.2No
CHEMBL495028C31H39N5O497.6875 / 23.1Yes
MLS003120225C20H16ClN3O2365.8174 / 13.2Yes
CHEMBL170207C28H32N4O5504.5875 / 43.4No
CHEMBL214461C40H41F3N4O5714.7869 / 3N/ANo
CHEMBL3329446C20H28N2O312.4572 / 14.7Yes
CHEMBL3828329C28H35NO5465.596 / 21.3Yes
CHEMBL1354533C22H26N2O3S398.5214 / 13.9Yes
DAPHC20H15N3O2329.3594 / 33.8Yes
CHEMBL68482C15H25N3OS295.4455 / 03.7Yes
MLS001098390C22H27BrN4O4491.3865 / 24.3Yes
CHEMBL1760216C20H21N5O2363.4215 / 12.2Yes
SCHEMBL17334385C22H24N4O3392.4595 / 02.9Yes
CHEMBL1800663C36H32F2N6O4S682.7479 / 25.5No
CHEMBL2063242C23H23Cl2N3O3460.3554 / 14.7Yes
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamideC21H22N4O4S426.4917 / 23.0Yes
CHEMBL3759551C29H30F2N2O6540.5648 / 35.3No
BAS 00216743C19H14N2OS318.3943 / 04.5Yes
SMR000082495C23H24N4O3404.474 / 11.9Yes
CHEMBL1734241C18H19F3N4O4S2476.48910 / 22.1Yes
AC1OIWKIC22H24N4O2S408.523 / 03.7Yes
CHEMBL562537C24H18F3N3O3453.4217 / 15.7No
AC1NKC6OC24H34N2O4414.5465 / 23.7Yes
N-(4-methoxybenzyl)oleamideC26H43NO2401.6352 / 18.5No
6-n-butylamino-3-pyridine carboxylic acidC10H14N2O2194.2344 / 21.9Yes
AC1P9W8YC22H25ClN2O3400.9034 / 04.3Yes
CHEMBL2181460C25H30Cl2IN542.3261 / 0N/ANo
BDBM50059386C28H29NO4443.5435 / 05.0Yes
NSC674257C17H13ClN2O2312.7533 / 03.6Yes
MLS000077136C12H11N3O6293.2358 / 1-0.1Yes
CHEMBL12859C22H24N2O3364.4454 / 13.0Yes
CHEMBL3670649C26H28N4O5476.5338 / 02.5Yes
MLS003124119C23H19N3O3385.4234 / 13.9Yes
CHEMBL171316C23H28N4S392.5655 / 14.9Yes
3-(5-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)pentyl)-1H-indole-5-carbonitrileC29H29F2N5O501.5826 / 15.1No
UPCMLD04ASTW002110C26H32N2O3420.5533 / 24.6Yes
UPCMLD04ASTW002121C26H32N2O3420.5533 / 24.6Yes
CHEMBL3715600C25H20N4O5S2520.57810 / 05.4No
1-(4-Fluoro-3-methyl-benzenesulfonyl)-4-pyridin-2-yl-piperazineC16H18FN3O2S335.3976 / 02.4Yes
CHEMBL574416C17H12N4O288.313 / 12.7Yes
CHEMBL3692880C18H17NO3S327.3984 / 12.9Yes
CHEMBL304260C49H61N7O10908.06610 / 94.7No
CHEMBL102611C24H29N3O6S487.5719 / 42.3Yes
CHEMBL3697590C19H17F2N3O3373.367 / 13.7Yes
CHEMBL2113609C17H25N5O4363.4188 / 40.8Yes
SMR000115985C21H18N4O3S406.465 / 13.8Yes
SCHEMBL2682752C23H30ClN5O2443.9765 / 22.3Yes
CHEMBL100149C24H29FN2O3412.5056 / 13.4Yes
EMD-23448C23H26N2330.4751 / 14.9Yes
CHEMBL3759362C22H33ClN4O4452.986 / 21.5Yes
3-(4-bromophenyl)-1-(cyclopropylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olC14H12BrF3N2O2377.1616 / 13.3Yes
CID 44405017C128H211N45O35S2972.4441 / 42-12.2No
SMR000006315C18H20ClNO4S381.8715 / 12.8Yes
CHEMBL11640C26H31N3O2417.5535 / 05.0Yes
5-{[3-(dimethylamino)propyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrileC15H18N4O270.3365 / 13.3Yes
CHEMBL1317251C21H20N4O5S2472.5349 / 13.2Yes
CHEMBL309518C24H27N3O5S2501.6167 / 03.5No
SMR001217115C28H28F4N2O7580.53312 / 1N/ANo
MLS000094053C16H16FN5O2S361.3958 / 03.5Yes
CHEMBL245072C44H44F3N5O5779.8619 / 15.8No
Pyrimidin-4-ylacetamide, 26C19H24N6O2368.4416 / 12.0Yes
CHEMBL504861C34H31FN4O4578.6447 / 16.3No
SCHEMBL602163C26H35ClN4O455.0434 / 16.0No
CHEMBL287791C28H32F3N3O2499.5786 / 13.9Yes
EticloprideC17H25ClN2O3340.8484 / 23.1Yes
AC1O8PYYC17H25ClN2O3340.8484 / 23.1Yes
2-(4-chlorophenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazideC22H15ClN4O386.8394 / 14.3Yes
CHEMBL338434C36H41F4N5O6S747.80711 / 27.3No
CHEMBL1476968C24H22N4O3S2478.5858 / 14.3Yes
SMR000038563C25H31N7O3477.5696 / 12.4Yes
MLS000716936C16H14F3N3O5S417.35912 / 23.1No
MLS001361981C28H30F4N2O6566.5511 / 2N/ANo
CHEMBL2377738C36H39N5O2573.7414 / 16.0No
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamideC19H21N5O3367.4096 / 12.1Yes
CHEMBL278949C13H15NO5265.2656 / 3-1.6Yes
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidineC20H21N5O4395.4198 / 13.2Yes
SMR000155400C22H16ClN3O3S2469.9587 / 05.1No
CHEMBL2016700C26H32ClN5O2482.0256 / 15.4No
CHEMBL52036C24H25N9439.5277 / 24.5Yes
MLS001002475C18H14N2O2S322.3825 / 13.7Yes
CHEMBL215374C29H25ClN4O4S2593.1138 / 05.3No
CHEMBL343158C21H18FN3OS379.4535 / 23.8Yes
SMR000016661C18H15N3O2305.3373 / 12.7Yes
SCHEMBL2841361C22H17N3O2S387.4575 / 14.9Yes
CHEMBL382310C20H24N2O3340.4234 / 30.3Yes
CHEMBL1256170C41H45NO567.8172 / 09.2No
CHEMBL1762574C18H21N5O2S371.4596 / 11.7Yes
CHEMBL83391C24H24N4O2S2464.6027 / 04.7Yes
MLS001359985C12H12N4212.2562 / 11.9Yes
CHEMBL149540C16H24N4O2304.3945 / 21.6Yes
CHEMBL140142C26H40N6O6S2596.76214 / 01.0No
CHEMBL316073C29H31ClN2O459.032 / 06.1No
CHEMBL169001C34H48N4O4+2576.7824 / 04.9No
CHEMBL1762411C35H45N5O2567.7786 / 46.2No
N-Allyl-2-(4-benzhydryl-piperazin-1-yl)-acetamideC24H29N3O5439.5127 / 3N/AN/A
CHEMBL432710C28H36ClNO7534.0468 / 25.8No
CHEMBL338740C27H22Cl2N6O2533.4136 / 27.0No
CHEMBL187888C13H15N3213.2843 / 11.6Yes
CHEMBL325386C15H20N2OS276.3983 / 02.7Yes
MLS000829697C30H29N3O8559.57510 / 02.8No
MLS000735125C23H32FN3O2401.5265 / 03.9Yes
CHEMBL325198C19H34NO3P355.4594 / 32.0Yes
CHEMBL2349596C29H32N4O2468.6014 / 14.3Yes
CHEMBL2058674C22H30N4O2382.5086 / 14.6Yes
IFLab1_004408C19H23NO2S329.4583 / 13.4Yes
MLS000527948C16H19N3OS301.4084 / 13.1Yes
CHEMBL2057501C18H20F3N5O3S2475.50511 / 01.5No
CHEMBL601208C18H16N4O3S368.4116 / 24.3Yes
MLS001235152C20H20FN3O4385.3955 / 21.9Yes
CHEMBL137344C27H34N4O2S478.6554 / 33.8Yes
CHEMBL132055C17H20Cl3N3OS420.7774 / 16.5No
MLS001116995C17H18N2O4S346.4015 / 12.3Yes
uwisc-betapep-72C40H71N7O9794.04811 / 9-2.2No
MLS003178907C29H31ClN2O5S555.0866 / 03.9No
MLS001110184C26H31N5O5S525.6247 / 22.0No
CHEMBL1396550C24H28N2OS392.5613 / 15.8No
CHEMBL522158C30H32Cl2N4O4583.516 / 14.8No
MLS000103088C17H20N2OS300.423 / 13.2Yes
CHEMBL2381177C30H37N3O4503.6436 / 35.8No
BDBM50242234C15H16O5276.2885 / 00.7Yes
CHEMBL404176C14H10ClN2NaO2S328.7464 / 0N/AN/A
CHEMBL2111779C24H25N3O2387.4834 / 13.8Yes
CHEMBL119800C24H25N3O2387.4834 / 13.8Yes
SR-01000838868C14H27NO6305.3717 / 4N/AN/A
AC1LRY9SC19H19N9O389.4237 / 13.2Yes
MLS001072616C24H25N3O3403.4824 / 14.1Yes
CHEMBL3735468C15H12ClN3O285.7314 / 13.3Yes
PD-135111C21H27N3S353.5284 / 04.3Yes
CHEMBL413066C83H110ClN15O131561.3316 / 147.3No
MLS000027156C23H30N6390.5355 / 03.7Yes
CHEMBL366375C17H28N2S292.4853 / 13.8Yes
CHEMBL363194C25H30Cl3N3O494.8853 / 16.0No
AC1MOBESC25H24N2O6S480.5357 / 12.9Yes
CHEMBL473650C21H14N6O2382.3835 / 12.8Yes
2-(2-nitrophenoxy)-N-propylacetamideC11H14N2O4238.2434 / 11.6Yes
AC1MMT0UC14H17NO4263.2934 / 21.3Yes
CHEMBL3409110C29H32FNO2445.5784 / 17.1No
CHEMBL134543C28H30N2O3S474.6196 / 12.2Yes
N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzamideC15H13BrN2O3349.1843 / 13.2Yes
2-phenyl-N-(2-phenylethyl)butanamideC18H21NO267.3721 / 14.0Yes
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(2,3-dimethylphenyl)-N~2~-(methylsulfonyl)glycinamideC19H23ClN2O3S2426.9745 / 14.0Yes
CHEMBL2372838C78H111N21O191646.8722 / 22-3.9No
MLS000684722C15H14N2O2S286.3495 / 14.2Yes
CHEMBL3717785C23H14Cl2N4O3S2529.418 / 06.7No
CHEMBL356764C22H24Cl2N2O403.3473 / 14.8Yes
CHEMBL363712C27H29N5S455.6244 / 25.3No
3-[Azepan-1-yl-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrileC19H26N6338.4595 / 02.9Yes
CHEMBL151310C23H37NO4391.5524 / 04.2Yes
SCHEMBL1671891C27H24N4OS452.5765 / 04.9Yes
MLS000115918C14H13N3O2S2319.3976 / 02.9Yes
MLS000733515C21H21F2N3O3401.4147 / 03.2Yes
MLS000684946C23H31ClN4O3S2511.0967 / 1N/ANo
MLS002473569C22H18N2O3S2422.5175 / 04.0Yes
MLS000392662C10H14ClN3S2275.8133 / 23.6Yes
CHEMBL3731686C27H26Cl2FN7O4S634.5088 / 34.7No
BAS 04995413C23H27N5O4437.56 / 20.7Yes
3,6-dichloro-1-benzothiophene-2-carboxylic acidC9H4Cl2O2S247.0893 / 14.1Yes
MLS000093986C23H26N4O5438.4846 / 13.0Yes
AC1NHO97C20H27N5O3S2449.5887 / 12.1Yes
MLS000569662C18H20N4O3S372.4436 / 13.2Yes
CHEMBL1800884C24H23N3O3401.4665 / 10.8Yes
2,6-dimethyl-4-[2-(phenylsulfonyl)acetyl]phenyl N,N-dimethylcarbamateC19H21NO5S375.4395 / 03.1Yes
SCHEMBL344830C23H21ClFN3O4S489.9468 / 14.1Yes
SMR000066873C16H20N4O6364.3588 / 11.1Yes
MLS002639376C10H6ClNOS2255.7343 / 13.4Yes
CHEMBL169322C18H25NO2287.4033 / 03.2Yes
AC1NWZI7C17H8F4N2OS364.3188 / 14.6Yes
BDBM50203786C75H105N23O181616.8121 / 22-4.4No
CHEMBL1532430C25H28N4O3432.5246 / 03.2Yes
CHEMBL379286C33H29Cl2N5O3614.5276 / 16.2No
MLS000849868C15H17N3OS287.3813 / 32.5Yes
MLS003115380C15H17N3OS287.3813 / 32.5Yes
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanoneC19H21FN2O2328.3875 / 03.3Yes
CHEMBL3664770C27H26N2O3S458.5764 / 14.3Yes
CHEMBL3236571C13H23N5249.3625 / 21.8Yes
CHEMBL3287722C23H28O6400.4716 / 25.2No
AC1NNPKRC18H20FNO4S365.4195 / 12.7Yes
CHEMBL201449C26H26N4O7506.5157 / 22.7No
CHEMBL204391C23H16Cl3N3O2472.753 / 14.8Yes
CHEMBL437168C26H26ClN7O6567.98710 / 52.2No
CHEMBL3092622C28H24F3N5O3535.5279 / 24.8No
CHEMBL75475C25H40N6O3472.6344 / 31.1Yes
CHEMBL341267C23H29NO3S399.5494 / 03.7Yes
CHEMBL126962C23H29NO3S399.5494 / 03.7Yes
CHEMBL420144C23H29NO3S399.5494 / 03.7Yes
MLS001362111C28H37F3N2O6S586.66711 / 1N/ANo
AC1NUSAFC18H18BrN3O3S436.3245 / 23.1Yes
CHEMBL2426667C28H31N5O453.595 / 02.9Yes
CHEMBL299404C19H27NO3317.4294 / 14.8Yes
MLS000912240C19H14ClN3O3367.7894 / 23.7Yes
CHEMBL1602658C23H28N2O5S444.5466 / 02.6Yes
CHEMBL3739885C9H5BrClN3OS318.5734 / 13.4Yes
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamideC14H18F3N3S317.3745 / 12.8Yes
CHEMBL1320515C18H17ClN2O2S360.8563 / 12.9Yes
BAS 01923086C20H23FN2O3S390.4735 / 13.1Yes
SMR000243071C24H25N3O5S467.547 / 23.6Yes
MLS001074397C28H29BrN4O4565.4686 / 25.1No
CHEMBL109589C20H27NO297.4422 / 15.1No
CHEMBL122047C25H30ClFN4O2472.9894 / 04.5Yes
MLS000882561C23H22O4362.4254 / 14.4Yes
MLS003106901C12H15NO4237.2554 / 11.9Yes
CHEMBL1398111C24H23N3O3S433.5264 / 23.9Yes
CHEMBL204705C24H34N4O2410.5624 / 12.9Yes
CHEMBL329744C30H36N4O5532.6418 / 22.5No
9-(4-chlorophenyl)-1,7-dimethyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1 ,2-h]purine-2,4-dioneC16H16ClN5O2345.7874 / 12.5Yes
BAS 09528871C15H12Cl2N2O2S355.2334 / 13.6Yes
CHEMBL539358C19H25ClFNO2353.8624 / 2N/AN/A
CHEMBL132776C31H43N7O8641.7269 / 9-0.4No
CID 44264495C10H15ClN2O2230.6924 / 1N/AN/A
CHEMBL269176C23H32N4O2S428.5956 / 04.6Yes
2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dioneC20H28N4O3372.4695 / 01.8Yes
CHEMBL2205617C21H20F4N2O3S456.4568 / 14.3Yes
CHEMBL78487C22H37N3O359.5583 / 24.7Yes
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazoleC11H7ClF4N2278.6355 / 13.8Yes
NCGC00012273C20H24N6O364.4536 / 01.6Yes
MLS000734874C23H31N3O3397.5194 / 03.4Yes
1-(4-ethoxyphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carbolineC25H28N4O400.5263 / 14.3Yes
AC1LE41XC18H18FN3OS343.424 / 13.3Yes
SMR000131481C21H25N3O2351.453 / 12.1Yes
ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoateC22H23BrN6O4S547.4288 / 22.0No
CHEMBL1783352C24H26N6398.5145 / 13.5Yes
CHEMBL1170086C21H17N5O2S2435.527 / 14.2Yes
SMR000091688C14H14FN3O2275.2836 / 13.2Yes
CHEMBL3680825C29H22Cl2F3N3O3588.4088 / 36.8No
BAS 00662566C8H12N4O3S244.2695 / 30.2Yes
CHEMBL341379C8H13FN2O172.2034 / 01.0Yes
SCHEMBL2458105C27H35NO4S469.645 / 24.9Yes
CHEMBL2237755C16H12Cl3N3O368.6423 / 14.1Yes
CHEMBL2180512C25H31ClN2O2426.9852 / 15.7No
MLS002157455C23H29N5O2S2471.6388 / 03.8Yes
169132-73-4C18H17N3O291.3543 / 13.9Yes
5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrileC7H11N5165.24 / 3-0.1Yes
MLS-0240968.0001C21H30N8O2426.5257 / 32.0Yes
1-(4-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dioneC16H13ClO3288.7273 / 14.3Yes
AC1NT5A7C17H17NO3283.3274 / 13.5Yes
MLS002768222C19H23Br2NO3S505.2654 / 05.6No
CHEMBL358600C27H32Cl2FN3O2520.475 / 04.3No
SMR000065140C20H19N3O5S413.4488 / 13.2Yes
CHEMBL1559360C18H16FNO5S2409.4467 / 03.6Yes
SMR000155256C19H17ClN4O2S400.8817 / 26.6No
CHEMBL179161C17H14N2O3S3390.496 / 23.1Yes
CHEMBL231340C37H35F6N5O2S727.7712 / 27.2No
CHEMBL412600C61H96N20O131317.5717 / 18-3.5No
CHEMBL387083C61H96N20O131317.5717 / 18-3.5No
N-[2-(benzyloxy)-5-bromobenzyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amineC19H22BrN5OS448.3836 / 14.0Yes
MLS000757188C19H25NO2299.4142 / 16.1No
AC1LLI6BC21H26BrNO2404.3483 / 05.1No
CHEMBL3322349C25H29Cl3N4O507.8843 / 27.0No
SMR000018340C20H18F3N7OS2493.52710 / 13.6Yes
CHEMBL300316C18H17FN2O2312.3444 / 11.9Yes
MLS000336683C21H20N4O3S408.4767 / 23.6Yes
BDBM50442547C104H138N24O151964.420 / 196.9No
5-chloro-2-(ethylsulfonyl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamideC15H16ClN3O4S369.826 / 11.8Yes
CHEMBL475382C17H19ClN2O302.8022 / 3N/AN/A
5-Nitro-2-p-tolyl-1H-benzoimidazoleC14H11N3O2253.2613 / 13.8Yes
2-(4-fluorobenzyl)-6-(4-methylstyryl)-3(2H)-pyridazinoneC20H17FN2O320.3673 / 03.8Yes
CHEMBL1097693C23H21F7N2O2490.42210 / 14.3Yes
CHEMBL603907C20H20ClF2N7O2463.8748 / 23.1Yes
CHEMBL469343C27H25ClN4OS489.0344 / 05.6No
2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}-N-(4-methylphenyl)acetamideC21H24N4O3S412.5084 / 32.0Yes
1-Benzyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-benzoimidazoleC22H18N6S398.4885 / 04.7Yes
CHEMBL1435065C20H19NO5S2417.4947 / 14.3Yes
CHEMBL38811C15H15N3O2269.3042 / 01.5Yes
SMR000102878C18H17ClN2O5S408.8537 / 12.6Yes
SMR000028904C21H22N6O3406.4468 / 12.7Yes
CHEMBL3667557C18H19ClN2O3S2410.9315 / 13.6Yes
SCHEMBL2026090C26H27FN4O3462.5257 / 03.0Yes
CHEMBL1683923C23H31N3O2381.524 / 23.1Yes
CHEMBL3263023C25H29N5O2431.546 / 13.1Yes
CHEMBL3260528C24H22ClN3O2419.9094 / 05.1No
AC1OJ1IVC19H23N5321.4285 / 24.4Yes
CHEMBL31533C19H29N2O3+333.4523 / 12.6Yes
CHEMBL573125C28H31ClN6O5567.0439 / 42.5No
SMR000005572C21H23N3O4S413.4926 / 12.8Yes
CHEMBL218675C24H30N4O390.5315 / 24.3Yes
CHEMBL1688881C21H16N2O4360.3694 / 24.4Yes
AC1O08MQC20H19ClN4350.853 / 15.5No
MLS000538897C13H15N3O5S325.3397 / 12.2Yes
F1243-0137C17H20ClNO3321.8014 / 12.8Yes
CHEMBL1078529C16H20N6S328.4384 / 32.2Yes
MLS000080863C14H20N2O3S296.3854 / 32.3Yes
ethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylateC20H19N3O5S2445.5089 / 13.7Yes
CHEMBL321223C38H30BrN3O6S736.6378 / 56.7No
MLS000526436C18H31N3S321.5272 / 23.7Yes
AC1MEFGHC18H31N3S321.5272 / 23.7Yes
CHEMBL63072C26H24BrF3N4O4S625.4619 / 25.6No
CHEMBL310369C24H33N3O4S459.6056 / 13.5Yes
AC1MR1M1C25H24FN5O2445.4985 / 22.7Yes
SCHEMBL1939501C17H15ClN2O5S394.8266 / 13.0Yes
CHEMBL3670580C24H27N5OS433.5746 / 04.6Yes
CHEMBL593436C14H15ClN2O2278.7363 / 13.4Yes
ChemDiv3_010013C18H20N2O4S360.4285 / 12.2Yes
CHEMBL1080117C27H28ClN5S490.0665 / 05.5No
SCHEMBL17472597C27H27N3O5S2537.6499 / 24.9No
MLS001100937C24H25FN2O2392.4743 / 13.6Yes
CHEMBL3288163C34H39Cl3FN5O4707.0657 / 4N/ANo
6-IodonordihydrocapsaicinC17H26INO3419.3033 / 24.8Yes
CHEMBL1417984C21H27N3O3S401.5255 / 13.1Yes
MLS000882705C23H19N3O2369.4244 / 04.3Yes
MLS002402777C18H14N2O274.3231 / 13.5Yes
diazepamC16H13ClN2O284.7432 / 03.0Yes
CHEMBL3908156C30H40N4O4S552.7346 / 44.3No
ethyl 4-(7-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylateC29H36N4O4504.6315 / 03.6No
CHEMBL2205042C17H21ClN2OS336.8784 / 2N/AN/A
CHEMBL217751C19H16F3N3O359.3526 / 23.8Yes
DibromosalicilC14H8Br2O4400.0224 / 24.7Yes
3-amino-N-(3-bromo-4-methoxyphenyl)-4-chlorobenzene-1-sulfonamideC13H12BrClN2O3S391.6645 / 23.1Yes
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indoleC20H18N4O330.3914 / 13.7Yes
MLS001138748C25H28N4O6480.5217 / 33.3Yes
SCHEMBL4376343C19H28Cl2N2O2387.3453 / 1N/AN/A
1-(4-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)ureaC16H17FN2O2288.3223 / 23.3Yes
CHEMBL179870C25H27N3O2401.514 / 14.6Yes
CHEMBL3979822C22H28BrN3O2S478.4495 / 24.1Yes
SMR000072988C17H15ClN2O4346.7675 / 13.8Yes
CHEMBL3394262C40H48N14O6820.91618 / 5N/ANo
MLS000065772C13H15N3OS3325.4636 / 14.0Yes
CHEMBL2178571C36H48N4O3584.8055 / 25.5No
SCHEMBL18442513C36H48N4O3584.8055 / 25.5No
SCHEMBL256565C25H29ClF3N5O5S604.04210 / 24.5No
SMR000123112C21H23FN2O5S434.4827 / 13.7Yes
CHEMBL2164612C40H43BF4N2O4702.59810 / 1N/ANo
CHEMBL3958494C22H27N5OS409.5526 / 03.3Yes
CHEMBL3913062C22H27N5OS409.5526 / 03.3Yes
CHEMBL3983937C22H27N5OS409.5526 / 03.3Yes
CHEMBL3901211C22H27N5OS409.5526 / 03.3Yes
CHEMBL590001C35H49N5O7651.8059 / 24.1No
CHEMBL2311023C63H106N22O111347.6817 / 19-2.5No
CHEMBL3977508C18H17Cl2N3O5S458.318 / 4-0.5Yes
MLS000862798C22H22N2S346.4921 / 15.2No
MLS003119411C23H28FN3O3413.4935 / 13.9Yes
CHEMBL1435351C25H21FN2O5S2512.579 / 26.4No
CHEMBL31662C27H22O5426.4685 / 24.5Yes
1-ethyl-N-[4-(2-furoylamino)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamideC23H20N4O4416.4376 / 22.4Yes
CHEMBL2023454C18H12FN3289.3133 / 03.9Yes
CHEMBL1081848C20H21ClN2O2356.852 / 24.6Yes
CHEMBL320071C20H22ClNO2343.8513 / 04.2Yes
7-(4-ethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamideC21H22N6O2390.4476 / 23.3Yes
CHEMBL266870C61H85N15O111204.4414 / 122.2No
BDBM65291C25H33FNO5P477.5137 / 31.4Yes
MLS000054353C18H14ClFN2O5392.7677 / 13.0Yes
CHEMBL394160C29H40ClFN4O515.1145 / 15.1No
CHEMBL3938269C19H14ClN3319.7923 / 14.6Yes
MLS000417245C22H19N5OS401.4885 / 15.0Yes
AC1O3BXWC18H20N2O4S360.4285 / 12.4Yes
MLS000686201C17H18N6O2S370.4317 / 11.0Yes
MLS000388876C14H14N2O2S274.3385 / 13.2Yes
CHEMBL488069C16H14Cl2F3NO364.1895 / 05.4No
AC1MPABPC23H25N3O4S439.536 / 33.7Yes
CHEMBL309922C30H38N4O3S534.7195 / 24.4No
CHEMBL572080C30H29ClN4O2513.0385 / 26.2No
CHEMBL249034C17H19ClN4O2346.8155 / 23.9Yes
C22H31BrN2O5SC22H31BrN2O5S515.4638 / 3N/ANo
CHEMBL434815C30H33N3O2467.6134 / 16.9No
SCHEMBL2948159C22H25ClO3S404.9494 / 15.1No
N'-[1-(2-thienyl)ethylidene]cyclopropanecarbohydrazideC10H12N2OS208.2793 / 12.0Yes
CHEMBL294472C25H36O3384.563 / 17.0No
CHEMBL59540C25H36O3384.563 / 17.0No
SCHEMBL16343432C29H28N2O3452.5544 / 12.5Yes
CHEMBL285013C25H28N4O5S496.5826 / 12.1Yes
CHEMBL1642761C24H30N2346.5182 / 15.4No
CHEMBL373873C25H30Cl2N6O501.4565 / 14.9No
CHEMBL38304C28H32N6O4516.6026 / 23.2No
BDBM50279801C106H153N25O32S52449.8340 / 32-5.0No
SCHEMBL739957C48H50N6O7822.9639 / 65.2No
SMR000127857C21H18N2O2330.3873 / 14.5Yes
CHEMBL195203C25H32N4388.5594 / 16.1No
CHEMBL54125C22H21FN4360.4364 / 04.7Yes
ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetateC14H13N3O3271.2765 / 01.1Yes
MLS001095734C20H20N2O4S384.456 / 13.4Yes
SMR000195158C18H16Cl2O3351.2233 / 05.1No
4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamideC24H29N3O5S471.5726 / 22.9Yes
CHEMBL2391280C20H17BrFN3O2430.2774 / 13.4Yes
2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrileC21H14FNO315.3473 / 04.7Yes
MLS000551030C16H14N2O2266.33 / 23.2Yes
SMR000012485C20H22F3N5O2S453.4849 / 13.3Yes
MLS003117888C20H23FN2O3358.4135 / 23.1Yes
CHEMBL249207C26H29BrClFN2O519.8833 / 06.2No
Benzotriazol-5-amine, 1-phenyl-C12H10N4210.243 / 12.1Yes
CHEMBL481508C18H27N3O2S2381.5536 / 05.8No
MLS001198379C15H12ClFN4302.7374 / 04.5Yes
CHEMBL455588C20H27N5O3385.4687 / 02.7Yes
CHEMBL82360C17H25ClN2O2324.8494 / 13.0Yes
(2E)-3-(2-chlorophenyl)-N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acrylamideC22H22ClN3O2395.8874 / 05.0Yes
CHEMBL3403625C22H17F3N2O5446.3829 / 13.3Yes
N-(3,5-dimethylphenyl)cyclopentanecarboxamideC14H19NO217.3121 / 13.4Yes
AC1PMN3ZC24H26N4O2402.4983 / 13.9Yes
CHEMBL3085807C60H88N18O131269.4816 / 17-1.1No
CID 44566179C205H333N63O53S4560.3767 / 71-16.3No
CHEMBL2407175C24H36N4O3428.5775 / 02.7Yes
CHEMBL314226C15H17FN6300.3415 / 21.6Yes
DIETHYL ETHYLPHOSPHONATEC6H15O3P166.1573 / 00.6Yes
SMR000145689C23H15N3O5413.3896 / 24.6Yes
AF-353C14H17IN4O2400.226 / 22.8Yes
(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazideC16H15ClN2O2302.7583 / 23.4Yes
CHEMBL3883388C27H27Cl2FN4O3545.4367 / 06.0No
CHEMBL1915037C15H13Cl2N5O350.2036 / 23.0Yes
MLS000730737C19H16FN5O3S2445.4877 / 12.8Yes
CHEMBL338501C21H14Cl2N4393.2713 / 15.0Yes
AC1LJP8IC18H18ClFN2O2348.8024 / 03.7Yes
MLS000761483C20H19ClN2O338.8353 / 14.5Yes
MLS001196566C20H22ClNO3S391.915 / 2N/AN/A
MLS000851390C11H7Cl2N3O3S332.1554 / 23.6Yes
N,N-diethyl-4-[(E)-2-nitrovinyl]anilineC12H16N2O2220.2723 / 03.4Yes
3-(Piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamideC16H20N2O4S3400.5267 / 12.1Yes
CHEMBL2409013C25H29N7OS475.6156 / 13.7Yes
SMR000024980C15H10F7NO353.248 / 04.2Yes
ethyl 3-[({1-[(4-chlorophenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoateC19H18ClNO5S407.8655 / 13.8Yes
MLS000045276C22H17N3O4387.3955 / 12.0Yes
N-[2-(4-chlorophenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamideC17H16ClNO4333.7684 / 13.2Yes
MLS000911803C26H28Cl2N6O3S575.5098 / 26.1No
MLS001157382C19H23BrN2O2S423.3694 / 14.0Yes
CHEMBL3896467C31H32ClF3N6OS629.14311 / 27.8No
MLS001177987C20H22N2O306.4092 / 24.2Yes
CHEMBL3759541C35H36N4O4576.6975 / 34.7No
MLS001074969C29H32BrN3O5582.4955 / 04.4No
CHEMBL3959631C27H30ClN3OS480.0674 / 16.7No
CHEMBL558564C20H20Cl5N5O523.6644 / 3N/ANo
CHEMBL1472919C24H28FN3O3S457.5645 / 14.0Yes
9-(hydroxyimino)-9H-fluorene-2,7-disulfonamideC13H11N3O5S2353.3678 / 30.4Yes
CHEMBL3917128C34H35NO6553.6556 / 16.9No
N-[4-(dibenzylsulfamoyl)phenyl]acetamideC22H22N2O3S394.4894 / 13.2Yes
CHEMBL3921107C26H30Cl2F3N3O2544.446 / 25.4No
MLS001082936C23H34N2O5418.5345 / 02.6Yes
2-amino-3-benzoyl-N-(2-chlorophenyl)indolizine-1-carboxamideC22H16ClN3O2389.8393 / 25.5No
CHEMBL3937055C16H19F2N3O5S403.4018 / 20.6Yes
CHEMBL402633C24H28N6O5S512.5859 / 31.4No
MLS001141336C24H26ClN3O4455.9394 / 13.4Yes
CHEMBL438965C25H25ClN2388.9391 / 16.4No
MLS001250385C18H22N2O5346.3835 / 03.7Yes
SR-01000786815C18H22N2O5346.3835 / 03.7Yes
MLS000113955C11H8BrNO4S330.1525 / 13.6Yes
MLS001239329C25H32ClN3O2S474.065 / 1N/AN/A
MLS001164598C26H28N4O5476.5336 / 24.0Yes
CHEMBL44172C25H31N5O7513.5518 / 7-3.4No
1-(4-chlorophenyl)-3-pyridin-4-ylureaC12H10ClN3O247.6822 / 22.0Yes
CHEMBL330570C35H36Cl2N2O3S2667.7046 / 07.2No
CHEMBL3930467C25H24F2N2O3438.4757 / 14.5Yes
AC1MGH8DC20H24BrNO5438.3186 / 2N/AN/A
CHEMBL3426702C40H43N5O6689.8138 / 54.1No
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamideC14H15ClN2O3S2358.8555 / 12.9Yes
MLS002607890C19H21NO2295.3823 / 03.3Yes
CHEMBL1287997C22H26N6O2406.497 / 14.1Yes
CHEMBL3692739C16H20ClN5O2S381.8797 / 11.9Yes
tolylpiperidine, 18nC22H23NO3S381.494 / 14.7Yes
CHEMBL3143254C41H52FN9O6785.9229 / 72.7No
CHEMBL231713C25H19ClFNO2419.884 / 05.5No
AC1ORKDOC15H19N5O2S333.416 / 11.9Yes
CHEMBL1223776C25H35N3O393.5753 / 15.4No
CHEMBL213366C47H69N7O3780.11510 / 95.3No
CHEMBL1440907C21H24N6O376.4646 / 02.5Yes
AC1LPJ7WC18H18N4O4S386.4265 / 33.6Yes
Tyr-Pro-Emp-Phe-NH2C35H43N5O5613.7596 / 53.8No
CHEMBL340073C17H24NO4S-338.4425 / 13.5Yes
MLS001078808C19H21FN2O2S360.4474 / 13.9Yes
CHEMBL3265141C33H39FO5534.6686 / 17.5No
SMR000047551C17H11ClN4O2S370.8116 / 03.8Yes
CHEMBL156307C21H23N7O2S437.5227 / 13.2Yes
CHEMBL1076276C22H26N4S2410.5985 / 26.2No
SMR000004969C26H29ClN6O3509.0077 / 1N/ANo
MLS000087136C23H21ClN4O4452.8956 / 14.4Yes
CHEMBL2153673C28H27Cl2N5O3S584.5165 / 25.6No
CHEMBL3765337C19H23N3O3S373.4714 / 02.8Yes
CHEMBL331539C21H25N5347.4664 / 04.7Yes
CHEMBL17202C28H29N5O4499.5715 / 25.5No
CID 53633248C28H29N5O4499.5715 / 25.5No
AC1NW90OC14H11Cl2N3O3340.165 / 13.4Yes
CHEMBL561028C24H27NO345.4862 / 04.5Yes
CHEMBL565206C24H27NO345.4862 / 04.5Yes
MLS000112244C15H13N3O2S299.3486 / 13.0Yes
MLS003106542C11H14N2O2206.2453 / 11.5Yes
CHEMBL306197C25H32N2O376.5442 / 16.0No
CHEMBL134023C32H44N8O8668.7529 / 9-0.8No
CHEMBL37699C25H20BrN3O2474.3583 / 15.1No
CHEMBL1258494C24H33N3O2395.5474 / 14.2Yes
SCHEMBL460059C25H28N4O4448.5238 / 10.3Yes
CHEMBL3287047C31H35F3N4O3568.6418 / 37.1No
MLS000676065C20H17Cl2N3O386.2763 / 04.5Yes
CHEMBL3924062C21H28N4O3384.486 / 14.2Yes
CHEMBL1644237C20H21N3O3351.4066 / 24.1Yes
CHEMBL1093559C28H17F5N2O4S572.5069 / 15.6No
CHEMBL2112935C23H21N5367.4563 / 23.9Yes
1,3-benzodioxole-5-carbaldehyde diphenylhydrazoneC20H16N2O2316.364 / 04.9Yes
BAS 03609370C21H20F3N3O3S451.4649 / 13.9Yes
CHEMBL3937911C21H26ClFN2O4S456.9577 / 14.0Yes
CHEMBL215957C18H19NO265.3562 / 04.3Yes
CHEMBL18388C20H18N6O2374.4046 / 23.2Yes
CHEMBL482369C20H29F3N4O2S446.5339 / 12.7Yes
CHEMBL1170635C38H54N10O7762.9139 / 10-1.6No
CHEMBL323403C24H23NO3S405.5125 / 05.9No
2-amino-6,7-dimethoxyquinoline-3-carboxamideC12H13N3O3247.2545 / 21.2Yes
(3,5-dimethyl-1,2-oxazol-4-yl)methyl adamantane-1-carboxylateC17H23NO3289.3754 / 03.4Yes
SMR000032427C17H19N3O3313.3574 / 00.5Yes
CHEMBL1710306C16H15ClN5O6PS471.80911 / 30.5No
CHEMBL1290522C25H29F3N4O3490.5278 / 33.1Yes
CHEMBL47177C33H35N7O2561.697 / 15.4No
CHEMBL295532C33H35N7O2561.697 / 15.4No
CHEMBL3287627C20H20Cl2F2N2O413.294 / 25.1No
CHEMBL431636C26H30N2O5S2514.6557 / 33.9No
CHEMBL392836C21H15Cl3N2O417.7143 / 06.8No
CHEMBL3685873C24H27N3O3405.4984 / 24.0Yes
CHEMBL210427C27H25Cl2N3O4S558.4746 / 25.8No
CHEMBL3427232C23H29NO2351.493 / 04.9Yes
CHEMBL3937066C23H29NO2351.493 / 04.9Yes
CHEMBL343256C19H21N5O335.4114 / 14.5Yes
SMR000633928C25H31N3O5S485.5996 / 12.5Yes
MLS003265714C29H37N7O3531.6618 / 14.2No
MLS001159884C20H25N3O4S403.4976 / 12.7Yes
CHEMBL1917395C16H9ClF2O3322.6925 / 14.3Yes
CHEMBL1644486C20H19ClN2322.8361 / 14.0Yes
2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 4-(acetylamino)benzoateC18H16N2O7372.3337 / 12.2Yes
MLS003130083C29H34FN3O3491.6076 / 14.6Yes
CHEMBL2111822C15H19NO6S341.3787 / 3-2.1Yes
CHEMBL1202052C22H39N3O3393.5724 / 13.1Yes
MLS002156048C18H22N2O6362.3827 / 13.0Yes
CHEMBL358948C19H15N3O2S2381.4685 / 13.2Yes
AC1M8JC3C24H26N4O3418.4975 / 03.7Yes
CHEMBL434667C15H10Cl3N3O354.6152 / 15.2No
SMR000091760C20H15N5O3S405.4327 / 02.8Yes
CHEMBL196259C16H16N8320.366 / 12.3Yes
MLS001083261C23H30ClN3O3431.9614 / 04.3Yes
CHEMBL76086C31H41N5O7S2659.81710 / 7-0.3No
CHEMBL310681C31H41N5O7S2659.81710 / 7-0.3No
CHEMBL80626C31H41N5O7S2659.81710 / 7-0.3No
CHEMBL307614C31H41N5O7S2659.81710 / 7-0.3No
BAS 10217455C13H13N3O3S2323.3855 / 11.5Yes
MLS001236705C19H20ClN3O5S2469.9557 / 23.2Yes
CHEMBL288450C23H26N4O2S422.5476 / 03.2Yes
CHEMBL368265C36H48N4O2568.8065 / 14.6No
SMR000000828C26H22N2O6S490.537 / 23.8Yes
CHEMBL3397986C30H40ClFN4O2543.1245 / 04.5No
CHEMBL58167C24H30N4O3422.5294 / 42.3Yes
BDBM65164C22H36NO4PS441.5676 / 31.1Yes
BDBM65165C22H36NO4PS441.5676 / 31.1Yes
CHEMBL1672280C12H4BrFN2S307.144 / 03.9Yes
CHEMBL308803C13H19N3O5S329.3719 / 2N/AN/A
SMR000207614C14H14N2O2242.2783 / 12.0Yes
MLS003121991C17H12Cl2F3NO374.1844 / 15.3No
SMR001291542C20H15FN2O318.3513 / 23.9Yes
CHEMBL3394753C35H51FN4O4610.8158 / 26.2No
AC1N6VA5C17H24N2O7S400.4467 / 11.0Yes
CHEMBL3402538C13H17ClN4O2S328.8155 / 11.7Yes
NSC515412C13H13N5239.2824 / 12.4Yes
CHEMBL411504C24H31N3O4S457.5896 / 04.1Yes
CHEMBL3915356C29H20Cl2F3N3O554.3946 / 27.0No
CHEMBL3663396C25H26N2O3402.4944 / 04.9Yes
CHEMBL605109C29H26Cl2N4O3549.4524 / 24.6No
CHEMBL307327C27H34N2O2418.5813 / 05.2No
MLS001235955C24H25N3O5435.485 / 12.8Yes
CHEMBL93168C29H31BrN2O503.4842 / 06.1No
CHEMBL3667561C18H19BrN2O3S2455.3855 / 13.7Yes
CHEMBL1486479C18H16BrN5382.2654 / 14.6Yes
N-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]acetamideC13H14N4OS274.3424 / 11.3Yes
SMR000105347C13H16N4O2S292.3576 / 02.3Yes
CHEMBL1437576C18H17F3N2O4S414.3998 / 13.4Yes
CHEMBL49950C22H33N5O3415.5387 / 11.8Yes
MLS000924981C20H21NO5S387.456 / 03.4Yes
CHEMBL315101C13H17N5243.3144 / 23.1Yes
CHEMBL3818128C19H23ClFN319.8482 / 1N/AN/A
CHEMBL2058899C20H21F3N4O4S470.46710 / 02.0Yes
CHEMBL1085560C24H26N4370.54 / 04.5Yes
CHEMBL1822863C24H26N4370.54 / 04.5Yes
CHEMBL386290C21H23N5O2377.4486 / 32.0Yes
CHEMBL3954046C21H21N7O2403.4467 / 22.4Yes
CHEMBL195566C22H23FN2O2366.4364 / 14.5Yes
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamideC25H29N5O2431.545 / 12.1Yes
CHEMBL367875C21H27N3OS369.5274 / 03.4Yes
CHEMBL1688475C25H26O4390.4794 / 15.5No
u-74389gC41H54N6O6726.91912 / 2N/ANo
MLS000084280C15H17N3O255.3212 / 11.8Yes
4-(furan-2-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amineC12H15N5O245.2866 / 11.7Yes
MLS000325386C17H13BrClN5O4466.6766 / 14.1Yes
SMR000211571C16H20BrNS2370.3673 / 1N/AN/A
CHEMBL1900596C16H17F2N3O3S369.3876 / 11.7Yes
MLS003509449C38H53N5O4643.8735 / 16.4No
SCHEMBL4536874C20H19F4NO5429.3689 / 13.5Yes
CHEMBL350554C37H38N4O6S666.7937 / 16.3No
CID 136859397C43H32N10Na4O17S41180.9818 / 8N/ANo
MLS001116732C19H20N4O5S2448.5129 / 12.5Yes
MLS001236176C18H18FN5O2S387.4337 / 12.5Yes
CHEMBL3972873C27H32N6O456.5945 / 22.2Yes
CHEMBL3981053C27H32N6O456.5945 / 22.2Yes
MLS001080910C26H32N2O6468.556 / 14.0Yes
CHEMBL3827623C26H36N6O3480.6136 / 03.9Yes
AC1NJXT4C25H24N2O5S464.5366 / 13.9Yes
CHEMBL300353C25H28N4S416.5874 / 15.6No
CHEMBL57589C27H34Cl2N2O3505.484 / 05.8No
4-({1-phenyl-2-[(phenylsulfonyl)amino]ethyl}amino)benzenesulfonamideC20H21N3O4S2431.5257 / 32.7Yes
CHEMBL1090526C20H24FN3O341.435 / 02.7Yes
CHEMBL3577985C51H66N12O9991.16410 / 91.0No
MLS002155617C26H27FN4O8S574.5811 / 4N/ANo
Phomactin AC20H30O4334.4564 / 21.3Yes
CHEMBL2373416C20H30O4334.4564 / 21.3Yes
SMR000164019C22H29NO3355.4784 / 04.2Yes
CHEMBL116108C31H31N5O5S585.67910 / 16.0No
AC1M7D1MC23H30N2O3382.5044 / 13.4Yes
MLS000718851C22H23NO6S429.4878 / 03.1Yes
CHEMBL3288289C40H49N9O4S751.9518 / 43.2No
SMR000144135C17H18BrNO2348.242 / 13.8Yes
CHEMBL408242C36H37Cl2N3O2S646.6715 / 07.5No
SMR000280375C31H37FN4O4548.6596 / 23.7No
CHEMBL172944C39H47FN4O2622.8296 / 15.7No
CHEMBL542783C23H34ClNO3407.9794 / 2N/AN/A
4-(4-Fluorobenzoyl)piperidineC12H14FNO207.2483 / 11.7Yes
CHEMBL1524350C28H29N3O4471.5574 / 13.7Yes
3-hydroxy-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-oneC15H18O5278.3045 / 11.6Yes
CHEMBL60435C23H33N3O3399.5355 / 11.8Yes
MLS001004660C21H18FN3O347.3934 / 13.9Yes
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamideC24H23FN4O402.4734 / 14.3Yes
MLS000830224C15H8BrF6NO412.1297 / 15.2No
CHEMBL2364563C14H21N6O13P3-4574.27218 / 4-4.5No
CHEMBL1934127C28H28ClN3O458.0022 / 25.4No
MLS000058168C25H24N4O6476.4898 / 13.3Yes
SMR000600564C27H29FN4O4492.5516 / 22.2Yes
CHEMBL57258C28H32ClNO11594.0112 / 24.3No
MLS002159427C17H14FN3O295.3174 / 12.5Yes
CHEMBL2170801C22H30ClN5O2431.9656 / 34.2Yes
AC1M8PTLC12H12N4O2S276.3146 / 11.4Yes
nocathiacin acidC58H56N12O18S51369.4530 / 91.9No
CHEMBL468370C16H11N3O261.2844 / 13.2Yes
CHEMBL406000C60H74N12O101123.3311 / 123.1No
CHEMBL2089347C27H24ClN5O2485.9726 / 34.2Yes
CHEMBL563305C30H34N2O438.6152 / 15.9No
MLS000553312C22H26Cl2N4O2449.3763 / 25.4No
AC1MJLISC22H26Cl2N4O2449.3763 / 25.4No
CHEMBL204455C23H21NO3359.4254 / 24.6Yes
carboxylic acid agonist, 14C23H21NO3359.4254 / 24.6Yes
CHEMBL207753C23H21NO3359.4254 / 24.6Yes
4-hydroxy-6-(2-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrileC18H13N3O2303.3214 / 12.5Yes
AC1O5EOPC16H15ClN2O2302.7582 / 23.9Yes
CHEMBL72117C15H18N4O2286.3353 / 12.2Yes
CHEMBL571683C30H33N3O4499.6116 / 04.6Yes
CHEMBL577518C30H33N3O4499.6116 / 04.6Yes
CHEMBL566389C30H33N3O4499.6116 / 04.6Yes
CHEMBL382194C18H20IN7O4525.3078 / 50.4No
MLS001209709C15H13N5O3311.3016 / 02.8Yes
CHEMBL309835C26H29NO5S467.586 / 25.4No
CHEMBL88548C18H15Cl3N4O409.6953 / 25.2No
MLS001116607C30H42FN5O3539.6966 / 14.4No
AC1PL0DLC19H22FN3O3S391.4616 / 22.9Yes
MLS001031372C28H29N3O3455.5584 / 03.6Yes
SMR000178156C18H11N3O4333.3035 / 03.2Yes
MLS001082701C20H18N2O6382.3727 / 12.8Yes
CHEMBL3655617C17H11N5O2317.3086 / 11.5Yes
CHEMBL96847C26H29N3O6S511.5937 / 14.1No
MLS003123479C17H14ClFN2O316.763 / 23.7Yes
AC1N31UBC20H15NO4333.3435 / 03.8Yes
SMR000143218C16H13ClN2OS316.8034 / 04.6Yes
CHEMBL315994C30H32N4O6S2608.7288 / 44.3No
ChemDiv3_009395C23H24N2O2S392.5174 / 14.9Yes
4-BenzylpiperidineC12H17N175.2751 / 12.5Yes
SMR000002600C19H30N4O3S394.5346 / 11.4Yes
MLS001217849C20H27N3OS357.5164 / 14.7Yes
MLS000572570C15H15ClN4O302.7623 / 22.6Yes
CHEMBL180742C26H22Cl2O4469.3584 / 26.4No
CHEMBL399843C26H29F3N4O6S582.59511 / 04.3No
CHEMBL1641939C26H32N2O2404.5543 / 15.7No
CHEMBL125742C23H31N3O2381.524 / 13.0Yes
CHEMBL203804C23H27Cl2N5O460.4035 / 25.2No
CHEMBL439697C91H124ClN25O131811.624 / 207.1No
CHEMBL75065C20H23FINO439.3133 / 14.6Yes
CHEMBL297808C24H26ClNO4S459.9855 / 25.8No
MLS001066020C26H33ClF3N3O3S560.0739 / 2N/ANo
CHEMBL324028C21H23N3O3365.4333 / 12.1Yes
CHEMBL3952345C13H10N4O4S318.3076 / 10.6Yes
CHEMBL3115111C30H42F3N5O6625.6912 / 10.6No
CHEMBL481383C20H23N5O2365.4373 / 03.6Yes
{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrileC17H13N3O2S323.375 / 03.1Yes
SCHEMBL1671846C20H21N7O375.4366 / 02.3Yes
MLS000773335C23H24N4O4S452.5297 / 22.8Yes
CHEMBL598037C20H21NO2307.3933 / 13.6Yes
MLS003115968C21H20N2O3S3444.5826 / 24.9Yes
MLS000068755C22H18ClN5O403.874 / 14.7Yes
CHEMBL3127149C19H19N3O2S353.445 / 15.1No
CHEMBL296448C16H18N6294.3625 / 33.0Yes
CHEMBL3692996C18H15Cl2NO4S412.2815 / 13.8Yes
CHEMBL3286417C19H22O4314.3814 / 13.3Yes
CHEMBL1933396C13H19FN2O2S286.3655 / 01.8Yes
CHEMBL439281C39H47N7O6S741.9088 / 62.9No
CHEMBL540064C28H40ClFN2O3507.0875 / 1N/ANo
CHEMBL542474C28H40ClFN2O3507.0875 / 1N/ANo
2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamideC14H15ClN2O262.7371 / 23.0Yes
CHEMBL1921928C29H41N2O2S+481.7194 / 05.9No
CHEMBL561167C18H22N4O3342.3994 / 13.3Yes
ASN 12748324C20H24N2O6S420.487 / 22.7Yes
CHEMBL72007C19H20N4O320.3963 / 24.1Yes
MLS003122265C19H16FN3O4S401.4126 / 13.2Yes
NSC660296C17H16O2252.3132 / 03.4Yes
CHEMBL384979C18H12Br2N2O4480.1125 / 14.2Yes
CHEMBL115612C27H28N6O3484.566 / 33.2Yes
CHEMBL2151617C18H18F3N3O2365.3567 / 03.1Yes
CHEMBL1914491C20H15ClO6S418.8446 / 13.5Yes
CHEMBL342126C34H34F4N4O4638.6649 / 26.1No
butenafineC23H27N317.4761 / 06.3No
MLS003675053C22H27NO5S417.526 / 03.9Yes
CHEMBL2326200C22H25NO3351.4463 / 14.3Yes
MLS001229720C20H21FN2O2340.3983 / 13.4Yes
SCHEMBL17043222C24H26N4O2402.4985 / 03.2Yes
MLS002169279C23H26N4O3406.4864 / 22.8Yes
CHEMBL46754C37H56NO5PS657.8916 / 012.6No
7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrileC13H7N5O2265.2325 / 01.2Yes
ASN 10014898C17H18ClFN2O2336.7913 / 12.7Yes
CHEMBL3577956C20H29N3O2343.4714 / 01.6Yes
CHEMBL3937763C25H24N4O4444.4918 / 11.2Yes
SCHEMBL1880639C25H24N4O4444.4918 / 11.2Yes
SCHEMBL1880072C25H24N4O4444.4918 / 11.2Yes
CHEMBL489094C25H33FN4O424.5645 / 23.3Yes
896075-95-9C23H22N2O7438.4368 / 02.3Yes
CHEMBL119774C29H34F3N3O3529.6047 / 05.6No
CHEMBL1086755C27H32Cl2N4O499.483 / 15.5No
CHEMBL3736483C25H32N6O6512.5678 / 52.4No
MLS000559294C21H14N2O2S2390.4755 / 05.4No
AC1LWMA3C17H19NO3285.3434 / 23.9Yes
SCHEMBL6924756C26H25N7O451.5346 / 03.9Yes
(2,4-dimethoxybenzyl)(1-ethylpropyl)amineC14H23NO2237.3433 / 13.1Yes
AC1NK1YFC22H23NO5381.4285 / 22.8Yes
MLS000108321C16H13FO4288.2745 / 13.2Yes
AC1MDXZYC17H16F2O4322.3086 / 03.5Yes
MLS000718003C18H20N4O2324.3844 / 22.4Yes
MLS001195501C17H19NO2269.3443 / 13.2Yes
AC1MD5VWC15H9ClFNO2289.693 / 13.4Yes
CHEMBL3939625C16H11Cl2N3O3S2428.3026 / 13.7Yes
CHEMBL3901297C38H37ClF3N5O3S736.25110 / 39.8No
AC1M8P9WC21H26N2O4370.4494 / 23.3Yes
CHEMBL3634916C68H105N23O131452.7418 / 20-3.6No
2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrileC15H10N4O3294.277 / 12.2Yes
CHEMBL3288658C24H18BrN3O2460.3313 / 05.3No
CHEMBL486958C23H21Cl3N4O475.7984 / 07.2No
CHEMBL233404C24H26N2O358.4852 / 14.9Yes
methyl 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylateC18H16Cl2N2O4395.2365 / 13.3Yes
AC1LO53NC24H24N2OS388.5293 / 05.0Yes
CHEMBL1395346C24H23FN2O4422.4566 / 21.7Yes
SCHEMBL509214C23H21F3N2O2414.4286 / 15.2No
CHEMBL2397017C30H29N3O4495.5796 / 24.2Yes
SMR000109040C15H13NO4S2335.3927 / 03.8Yes
CHEMBL206982C26H26F2N4O5S544.57410 / 12.9No
SCHEMBL342185C18H12ClIN2O3S498.7195 / 14.5Yes
AC1NRHISC17H11Cl2N3O344.1953 / 14.5Yes
MLS002183003C19H19NO3309.3653 / 14.2Yes
MLS000882741C30H28FNO437.5582 / 06.6No
SMR000059935C13H14F3NO4305.2537 / 21.8Yes
AC1LFMYVC17H25BrN2337.3052 / 03.9Yes
AC1OMV1ZC21H28N2O3356.4663 / 34.2Yes
CHEMBL3956769C26H33NO2391.5553 / 06.0No
CHEMBL3427239C26H33NO2391.5553 / 06.0No
SMR000062656C19H25N3O2S359.4884 / 13.2Yes
NCGC00090226-01C27H40N6O2480.6577 / 03.9Yes
CHEMBL1917358C24H35N3O2S429.6235 / 04.9Yes
DEXTRO-CAMPHORIC P-PHENETIDIDEC18H25NO4319.4014 / 23.0Yes
N-(4-methylbenzyl)-N'-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)ureaC18H19N3O2S341.4293 / 22.5Yes
2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dioneC17H14O4282.2954 / 02.9Yes
CHEMBL2397302C23H29ClN4O412.9625 / 04.3Yes
MLS000389682C18H15ClN4O3370.7935 / 13.6Yes
UPCMLD02ASTW001224C34H36FN3O4569.6775 / 04.8No
MLS000767700C20H20N2O4352.395 / 12.9Yes
BDBM50349278C22H20Cl2N4O3459.3273 / 23.0Yes
CHEMBL3329375C20H19FN2O3354.3814 / 13.3Yes
CHEMBL3298692C32H38N4O6574.6788 / 63.9No
CHEMBL3904946C24H25FO4396.4585 / 23.9Yes
MLS003123533C18H15F3N2O2348.3256 / 23.4Yes
14443-37-9C6H6N4O2S198.24 / 3-0.7Yes
MLS000732542C23H24N2O2360.4574 / 03.8Yes
MLS001073439C24H24ClN3O2421.9254 / 14.2Yes
MLS001110591C28H26N6O2478.5565 / 03.3Yes
CHEMBL288431C28H32N2O5476.5737 / 3N/AN/A
MLS001117089C16H16N2O4S332.3745 / 22.1Yes
CHEMBL175781C22H23Cl2N3O416.3463 / 05.0Yes
4-tert-butyl-N-[2-(2-fluorophenoxy)ethyl]benzamideC19H22FNO2315.3883 / 14.6Yes
N'-(1-benzyl-4-piperidinylidene)-3-hydroxy-2-naphthohydrazideC23H23N3O2373.4564 / 24.1Yes
CHEMBL221681C24H28BrN3O3486.415 / 14.9Yes
CHEMBL3936958C20H22F3N3O3S441.4698 / 13.8Yes
MLS003120418C25H25N3O3415.4934 / 23.5Yes
3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-[(propylamino)methyl]azetidin-2-oneC20H23ClN2O2358.8663 / 14.3Yes
CHEMBL1830045C25H25N3O2399.4943 / 03.1Yes
N-(benzylcarbamothioyl)-2-bromobenzamideC15H13BrN2OS349.2462 / 24.1Yes
CHEMBL1927632C8H7N7O217.1927 / 2-0.1Yes
MLS001124200C20H28N2O3S376.5154 / 03.2Yes
TCMDC-125610C19H15BrN2O2S415.3054 / 05.2No
CHEMBL208311C25H30N6O4478.5538 / 42.7Yes
MLS003121399C23H23N3O3S421.5156 / 05.1No
CHEMBL3898794C30H41ClN4O4557.1325 / 34.8No
SMR000048110C20H22ClN3O2371.8654 / 12.7Yes
MLS000834357C28H32F3NO4503.5627 / 15.5No
CHEMBL2205816C18H20N2O280.3713 / 11.8Yes
ethyl 4-{[(3-nitro-1H-pyrazol-1-yl)acetyl]amino}benzoateC14H14N4O5318.2896 / 11.6Yes
CHEMBL220398C9H14IN2O15P3610.03615 / 7-5.5No
AC1MTPJPC32H35N3O6S2621.7678 / 26.1No
CHEMBL21607C28H27Cl2N3O2508.4433 / 16.1No
CHEMBL217353C19H19BrN4O3S2495.417 / 03.5Yes
CHEMBL1092748C30H35F6N3O4S647.67711 / 15.7No
Pyrimidin-4-ylacetamide, 9C20H24N6O3396.4517 / 11.7Yes
CHEMBL2322857C18H20ClF3N4O2416.8297 / 03.4Yes
CHEMBL270853C30H34N6OS526.7036 / 04.4No
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamideC14H16N2O2S276.3544 / 13.3Yes
CHEMBL559928C32H26ClN3O3536.0285 / 13.7No
N-1-adamantyl-4-(2-methoxyphenyl)piperazine-1-carboxamideC22H31N3O2369.5093 / 13.8Yes
Enamine_003330C15H10N4O262.2723 / 02.1Yes
CHEMBL1864946C23H29N3O3395.5035 / 13.6Yes
NCGC00012487C16H15N3O265.3164 / 13.5Yes
1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiolC16H13FN2S284.3522 / 13.2Yes
CHEMBL466271C32H36BrIN4O6779.477 / 3N/ANo
CHEMBL2387690C21H17N3O2343.3864 / 13.7Yes
CHEMBL3903525C19H24F2N4O4410.4229 / 12.8Yes
CHEMBL420892C14H16N2O3260.2934 / 12.2Yes
CHEMBL2420770C15H17FN2S276.3734 / 03.2Yes
CHEMBL544720C39H39ClN4O4663.2155 / 3N/ANo
CHEMBL2205606C20H20F2N2O5S438.4468 / 13.1Yes
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrileC14H11ClF3N5O2373.728 / 11.8Yes
CHEMBL2113679C27H27N3O2425.5324 / 24.6Yes
SMR000092165C20H22N4O334.4234 / 14.3Yes
CHEMBL516056C28H44N2O8S568.72610 / 6N/ANo
SMR000030768C22H24FN3O2S413.5116 / 13.4Yes
CHEMBL321831C28H42N2O6502.6527 / 12.1No
AC1MTBBIC24H26N2O5S2486.6017 / 14.5Yes
SMR000033988C18H16Cl2N2O347.2392 / 3N/AN/A
CHEMBL1494281C25H31N5O2433.5566 / 04.5Yes
CHEMBL499729C32H51N5O4569.7917 / 04.5No
CHEMBL2203618C27H32N4O428.583 / 14.1Yes
SCHEMBL632463C14H18ClN3O279.7683 / 13.1Yes
MLS003269525C19H17NO2291.353 / 04.6Yes
CHEMBL115710C28H36F2N2O3486.6047 / 04.2Yes
2-hydroxy-1,3-dimethyl-9H-thioxanthen-9-oneC15H12O2S256.3193 / 13.9Yes
CHEMBL3893150C22H20FN7O3449.4469 / 03.1Yes
CHEMBL472484C22H30ClFN2376.9443 / 05.0Yes
CHEMBL161710C21H28N2O324.4683 / 15.1No
CHEMBL246041C15H12N2O3268.2723 / 22.3Yes
CHEMBL1162502C24H39N3369.5971 / 05.9No
BDBM50271454C24H40N3+370.6050 / 15.5No
SMR000151112C21H25N3O5S431.5076 / 11.4Yes
BAS 09530603C21H23F2N5O399.4466 / 02.6Yes
CHEMBL609297C15H19ClN4OS338.8545 / 4N/AN/A
CHEMBL140749C22H22FN3OS395.4965 / 23.7Yes
CHEMBL105512C13H23N3S253.4084 / 13.2Yes
CHEMBL231464C29H44O2424.6692 / 19.6No
MLS000735317C22H19N3OS373.4743 / 13.4Yes
Maybridge4_004137C14H20N2O3S296.3854 / 21.9Yes
CHEMBL476341C24H27NO3377.4843 / 24.3Yes
CHEMBL541511C19H26F2N4348.4425 / 13.1Yes
5-(2-Morpholin-4-yl-ethylamino)-2-phenoxymethyl-oxazole-4-carbonitrileC17H20N4O3328.3727 / 12.4Yes
2-(3-(benzylsulfonyl)-1H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamideC25H24N2O3S432.5383 / 14.5Yes
SCHEMBL1991690C16H16ClN3O301.7743 / 22.1Yes
CHEMBL143156C27H30F6N2O2528.5399 / 05.6No
CHEMBL3326687C22H24F2N6O6S538.52713 / 02.4No
CHEMBL451255C15H17N3O255.3213 / 12.6Yes
AC1MDJY4C13H15N3O2245.2824 / 23.0Yes
MLS001175729C28H31NO6477.5577 / 14.3Yes
CHEMBL604891C22H20N2O3360.4134 / 04.1Yes
2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acidC16H13ClN2O2S332.8024 / 24.5Yes
CHEMBL3742147C10H5ClN4OS264.6875 / 12.4Yes
CHEMBL437260C88H86F4N16O121635.7522 / 89.5No
CHEMBL99502C14H17BrN2O2325.2062 / 22.8Yes
MLS000054921C14H15NO3245.2783 / 01.3Yes
CHEMBL1395673C16H16ClN7O3S421.868 / 21.2Yes
MLS000092917C22H29N5O3S443.5665 / 32.1Yes
AC1MFPXBC22H27NO5385.466 / 3N/AN/A
AC1N3J05C20H27N5337.4714 / 05.2No
N~2~-(2,4-dichlorophenyl)-N-(4-methylbenzyl)-N~2~-(phenylsulfonyl)glycinamideC22H20Cl2N2O3S463.3734 / 15.1No
AC1LORZKC17H19FN2OS318.414 / 03.9Yes
CHEMBL273195C21H21ClF3N3O3455.8627 / 24.1Yes
CHEMBL2205048C17H20N2OS300.424 / 13.4Yes
MLS001218130C14H20N6OS320.4156 / 22.6Yes
CHEMBL66449C15H25NO2251.373 / 22.1Yes
CHEMBL1593838C29H23FN2O4S514.5715 / 14.6No
CHEMBL1336257C22H26N4O3394.4757 / 04.5Yes
CHEMBL382826C22H27Cl2N5O2464.3916 / 03.5Yes
CHEMBL287965C24H24N4O3S448.5416 / 13.1Yes
CHEMBL1882512C18H19N3O3S357.4286 / 03.3Yes
AC1LYMJLC22H21NO3347.4143 / 24.2Yes
CHEMBL488690C27H37ClN6O2513.0838 / 15.4No
CHEMBL166428C33H37N3O6S603.7347 / 24.8No
SCHEMBL1940119C19H19ClN2O4S406.8815 / 13.0Yes
CHEMBL1202076C24H39NO6437.5777 / 2N/AN/A
CHEMBL2313295C18H16F3N3O2363.345 / 03.1Yes
4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)nicotinonitrileC17H18N2O2S2346.4635 / 03.5Yes
AC1MFQZ4C29H34N2O6506.5998 / 2N/ANo
MLS001096040C27H37N7O2491.646 / 12.8Yes
CHEMBL1076680C19H16Cl2O3S394.2944 / 15.3No
CHEMBL1076680C19H16Cl2O3S395.2944 / 15.3No
UPCMLD08ADHK001121C26H26F4N2O2474.56 / 15.4No
SMR000130904C17H19NOS285.4052 / 14.1Yes
CHEMBL307307C14H15N5253.3094 / 02.9Yes
CHEMBL3982481C19H18FN3O323.3714 / 02.2Yes
MLS001177268C22H22N2O3362.4293 / 23.6Yes
868968-75-6C20H18N6O3S422.4638 / 12.0Yes
CHEMBL89246C43H43N7O673.8655 / 09.9No
CHEMBL3978976C26H32N4O2S464.6285 / 24.2Yes
MLS000948134C21H22N4OS378.4945 / 14.3Yes
CID 56666585C17H19N3O4329.3564 / 01.0Yes
MLS003468624C22H18BrClN2425.7541 / 07.5No
N-(9-acetylcarbazol-3-yl)acetamideC16H14N2O2266.32 / 12.4Yes
AC1NTCBXC20H17N3O2331.3753 / 23.9Yes
SMR000029983C25H25FN4O3448.4987 / 13.2Yes
CHEMBL38176C24H18FN3O383.4263 / 14.5Yes
2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamideC20H23N3O3353.4224 / 14.5Yes
Chemistry 57C26H42N4O4474.6464 / 14.2Yes
Chemistry 57C26H42N4O4474.6464 / 14.2Yes
AC1LCTPQC20H24N6348.4545 / 03.8Yes
N-benzyl-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamideC23H22N4O3402.4544 / 12.7Yes
SMR001277579C22H21F3N2O2S434.4777 / 14.6Yes
CHEMBL10781C29H28O10536.53310 / 13.9No
SMR000542908C33H34N4O3534.664 / 14.5No
AC1NIZZAC26H29N3O5S495.5947 / 23.2Yes
CHEMBL3915132C26H35N5O2449.5995 / 23.6Yes
GR 89696 fumarateC23H29Cl2N3O7530.3998 / 2N/ANo
CHEMBL93759C19H25ClN2O3364.874 / 01.8Yes
MLS000085454C10H10N2O2190.2023 / 21.5Yes
MLS002702448C28H25F3N2O6S574.5719 / 0N/ANo
MLS003122874C24H23N5OS429.5426 / 34.9Yes
SMR000117186C24H31ClN4O4S507.0467 / 3N/ANo
MLS000693296C21H15BrN4O2S467.3416 / 14.2Yes
CHEMBL2064052C22H24O4352.434 / 23.8Yes
CHEMBL319971C17H14ClN5O2355.7825 / 13.2Yes
procainamide hydrochlorideC13H22ClN3O271.7893 / 3N/AN/A
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamideC18H20F3N3O351.3735 / 14.2Yes
CHEMBL1525252C23H27N3O2S409.5485 / 15.3No
CHEMBL403743C31H42FN5O4S599.7668 / 23.8No
MLS001177016C15H10ClNO4303.6985 / 23.0Yes
CHEMBL134737C28H28ClN3O3490.03 / 35.6No
CHEMBL3290443C21H18Cl2N4O3445.35 / 14.8Yes
c[Asp9, Lys12,] glucagon-NH2C153H224N44O47S3463.852 / 54-13.7No
CHEMBL1243256C28H35N3O6S541.6638 / 52.3No
N-(1,1-dimethyl-2-propynyl)-2,4-diphenyl-5-pyrimidinecarboxamideC22H19N3O341.4143 / 13.5Yes
CHEMBL3104204C29H36FN5O3521.6377 / 13.9No
CHEMBL2059319C24H27FN4O2422.5044 / 13.9Yes
CHEMBL3394272C19H27N3O3345.4434 / 11.6Yes
N-hydroxy-2-(trifluoromethyl)benzamideC8H6F3NO2205.1365 / 20.6Yes
CID 44578448C19H27N7OS2433.5939 / 11.7Yes
SMR001277780C19H19NO3S341.4255 / 13.6Yes
CHEMBL154145C21H25N5O2379.4646 / 02.1Yes
MLS001204131C19H11F3N2O2S2420.4249 / 15.0Yes
MLS000591112C26H21N5O4S499.5457 / 14.7Yes
CHEMBL12933C25H29N3O2S435.5865 / 04.7Yes
SMR000092791C21H16BrN3O3438.2815 / 14.6Yes
MLS000733354C22H29FN4O384.4994 / 02.6Yes
CHEMBL40836C36H39NO4S2613.8317 / 27.5No
SMR000002891C22H25FN4O2S428.5267 / 14.2Yes
AC1N3R9YC11H8BrN3O2S326.1685 / 13.7Yes
SMR000207446C25H21N3O6459.4587 / 33.7Yes
CHEMBL3706812C27H34FN5O463.6014 / 35.0Yes
CHEMBL178846C22H25ClN6O5488.9299 / 41.3Yes
SCHEMBL6918188C17H13ClN4O3356.7666 / 12.8Yes
MLS000568787C23H28N2O6428.4856 / 14.8Yes
CHEMBL409714C20H15Cl2FN2O4437.2485 / 12.5Yes
CHEMBL260013C20H15Cl2FN2O4437.2485 / 12.5Yes
Spiro-indolinone analogue, 90C20H15Cl2FN2O4437.2485 / 12.5Yes
1h-naphtho[2,3-d]imidazole-4,9-dioneC11H6N2O2198.1813 / 11.7Yes
CHEMBL339175C10H16N4192.2663 / 10.9Yes
CHEMBL198406C24H40O5PS-471.6136 / 18.1No
CHEMBL150346C23H24N2O2360.4572 / 13.2Yes
AC1N07GLC24H19N3O2S413.4955 / 14.7Yes
CHEMBL184047C17H11FN6S350.3757 / 03.5Yes
SMR000194758C17H16BrNO2346.2242 / 14.2Yes
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamideC15H11F2N3O2S335.3297 / 13.2Yes
CHEMBL3715817C22H26N2O5398.4595 / 01.5Yes
SCHEMBL2463331C18H16F2N4O2358.3497 / 22.9Yes
SCHEMBL2464762C18H16F2N4O2358.3497 / 22.9Yes
MLS001111045C20H26N2O4358.4384 / 13.9Yes
KUC105575NC21H18N4S358.4634 / 04.0Yes
CHEMBL1689044C33H38N4O506.6943 / 27.2No
CHEMBL69204C16H12Cl2N4O347.1994 / 04.2Yes
CHEMBL232154C29H40ClN7O4586.1346 / 62.4No
CHEMBL143800C23H25NO3363.4574 / 13.6Yes
SMR000068198C22H19N3O3373.4124 / 13.1Yes
AC1LDJGFC16H22N6OS2378.5137 / 01.7Yes
CHEMBL2113257C25H27ClN2O2422.9533 / 15.5No
2,3-dimethyl-5-[5-(1-naphthylamino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-oneC25H22N4O2S442.5376 / 14.9Yes
CHEMBL3650397C29H37F6N3O3589.62311 / 05.2No
786647-50-5C17H21NO4303.3584 / 03.4Yes
MLS003118016C25H28N2O4420.5095 / 14.2Yes
SCHEMBL1671969C26H33N7O459.5986 / 04.5Yes
SMR000082223C20H28N2O4S392.5146 / 13.0Yes
CHEMBL556022C20H30Cl2N4O3S477.4457 / 5N/AN/A
CHEMBL1083341C18H16ClN3O2S373.8555 / 04.4Yes
7-Hydroxy RisperidoneC23H27FN4O3426.4927 / 11.7Yes
2,6-bis(4-chlorophenyl)-3,5-dimethyl-4-piperidinoneC19H20Cl3NO384.7252 / 2N/AN/A
MLS001230272C18H18N2O2294.3543 / 13.3Yes
CHEMBL256659C22H23F3N6O2S492.52111 / 03.9No
AC1OAVT7C21H17N5O355.4016 / 14.1Yes
CHEMBL233160C27H20BrF2N3O2536.3776 / 06.6No
CHEMBL3916780C27H24FNO6477.4887 / 14.1Yes
MLS-0229802.0001C29H32ClN3O5538.0418 / 2N/ANo
CHEMBL479644C20H24ClNO4377.8655 / 3N/AN/A
SMR000105036C25H33N3O391.5593 / 04.2Yes
CHEMBL493129C11H16ClNO213.7052 / 2N/AN/A
MLS002699626C26H26N2O2398.5062 / 25.1No
2-fluoro-N-(2-hydroxybenzyl)-N-(4-methylphenyl)benzamideC21H18FNO2335.3783 / 14.5Yes
CHEMBL430078C213H348N56O61S4701.5268 / 60-16.1No
CHEMBL420368C14H11ClF5N5379.7199 / 14.9Yes
ASN 07460871C18H24N2O4S364.465 / 13.1Yes
N-Cyclopentyl-2-(3-ethyl-6-methyl-quinolin-2-ylsulfanyl)-acetamideC19H24N2OS328.4743 / 14.8Yes
CHEMBL418757C51H52FN7O7894.0178 / 76.6No
AC1NMM0GC23H18BrFN2O2453.3113 / 14.3Yes
CHEMBL141736C24H29N2O2+377.5082 / 02.8Yes
MLS000334736C27H27ClN2O5494.9726 / 4N/AN/A
CHEMBL398480C13H17NO2219.2843 / 12.1Yes
CHEMBL3975186C25H21ClFNO4453.8945 / 15.0Yes
CHEMBL553507C31H39ClN4O4567.1275 / 4N/ANo
CHEMBL555821C31H39ClN4O4567.1275 / 4N/ANo
BIM 23197C57H81N13O13S31252.5319 / 140.0No
CHEMBL3667560C19H21ClN2O3S2424.9585 / 14.0Yes
Enamine_000078C12H11N3O213.243 / 02.8Yes
CHEMBL42397C31H29N7O515.6215 / 15.6No
CHEMBL91956C35H38N4O5594.7127 / 25.8No
SCHEMBL16034373C29H39N3O6525.6467 / 41.7No
CHEMBL3899312C29H39N3O6525.6467 / 41.7No
CHEMBL2262480C12H17N3O2235.2874 / 4-0.2Yes
MLS002694269C30H31Cl2N3O4568.4954 / 25.8No
SCHEMBL17938360C27H28N4O4S504.6055 / 03.6No
SMR000199682C15H12ClFO3294.7064 / 04.0Yes
Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-C16H17NO2S287.3773 / 03.0Yes
AC1MMTJZC27H25N5O3S499.5898 / 05.7No
(R)-NorlaudanosolineC16H17NO4287.3155 / 51.9Yes
TetrahydropapaverolineC16H17NO4287.3155 / 51.9Yes
MLS000109191C21H15N5O2S401.4446 / 03.4Yes
CHEMBL3314214C60H79N17O121230.415 / 16-0.3No
4-chlorobenzaldehyde N-phenylsemicarbazoneC14H12ClN3O273.722 / 23.2Yes
AC1M6DCNC18H17ClN2O4S392.8545 / 13.4Yes
CHEMBL272993C23H26ClN3O3S2492.0497 / 24.7Yes
CHEMBL135890C21H24N2O2S368.4955 / 23.7Yes
MLS003322175C22H17BrClFN2443.7442 / 07.6No
CHEMBL1609535C28H32N4O3472.5894 / 34.1Yes
CHEMBL262235C64H79FN12O101195.4112 / 125.3No
CHEMBL408861C64H79FN12O101195.4112 / 125.3No
GNF-Pf-3799C27H27F5N4O3550.539 / 15.3No
CHEMBL1080908C23H25ClF3N5O2S527.9918 / 14.8No
CHEMBL1080545C23H25ClF3N5O2S527.9918 / 14.8No
CHEMBL1081213C23H25ClF3N5O2S527.9918 / 14.8No
CHEMBL319356C9H12N4176.2233 / 21.5Yes
CHEMBL389713C31H36N6O5572.6667 / 24.6No
AC1MKS45C20H21NO5355.395 / 13.1Yes
SMR000095165C21H22ClN3O3399.8755 / 04.6Yes
MLS001030512C23H31N3O4S445.5786 / 13.3Yes
MLS001105133C24H32N4O4440.5447 / 03.1Yes
CHEMBL3753198C20H22N6O4410.4349 / 12.2Yes
CHEMBL109839C21H34N2O330.5162 / 25.6No
CHEMBL68292C29H40N6O3520.6786 / 22.5No
MLS000550113C15H12ClN3S301.7923 / 04.6Yes
MRS-1042C24H28O5396.4835 / 06.0No
SMR000030980C18H24N4O2S360.4765 / 11.5Yes
MLS001082539C26H33N5O2447.5835 / 03.0Yes
CHEMBL3138115C59H70B2Cl2Na4O101123.6810 / 2N/ANo
4-{(E)-[(morpholin-4-ylacetyl)hydrazono]methyl}benzoic acidC14H17N3O4291.3076 / 2-1.9Yes
CHEMBL2261203C29H36N4O5S2584.758 / 43.9No
SR-01000300690C22H22N4O3390.4434 / 22.5Yes
CHEMBL184736C18H16BrFN2O375.2413 / 14.7Yes
CHEMBL3797382C15H16ClN3O289.7632 / 22.2Yes
2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamideC20H21N3O4367.4055 / 11.2Yes
CHEMBL3349028C29H39N3O5509.6475 / 5N/ANo
CHEMBL3350686C29H39N3O5509.6475 / 5N/ANo
CHEMBL2111203C29H39N3O5509.6475 / 5N/ANo
MLS001106195C15H23NO5S329.4116 / 12.5Yes
AC1NH69CC21H26N2O4S402.5095 / 13.7Yes
MLS000733112C19H19N3O4353.3786 / 11.8Yes
MLS001139341C20H16N8O4432.410 / 22.2Yes
3-methyl-1-[2-(1H-pyrrol-1-yl)benzoyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olC16H14F3N3O2337.3026 / 12.5Yes
SMR000030857C17H23N3O4S365.4485 / 20.9Yes
SMR000153272C20H27N5O3385.4685 / 32.4Yes
SCHEMBL10316476C44H58N8O5778.9997 / 64.0No
CHEMBL3893631C44H58N8O5778.9997 / 64.0No
BAS 03153833C18H13ClF3N3O3S443.8259 / 14.2Yes
SCHEMBL2586921C22H23N3O2361.4454 / 15.0Yes
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamideC11H12N2O2S236.2894 / 11.6Yes
CHEMBL188511C15H14F3NO5345.2749 / 3-1.7Yes
AC1M7UQIC16H12N2O3280.2833 / 04.4Yes
CHEMBL2337104C15H19ClN2O278.782 / 3N/AN/A
CHEMBL1476607C17H18N4O3S358.4166 / 22.2Yes
MLS000707416C16H22ClF3N2O2366.8096 / 2N/AN/A
8-{[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-2-methylquinolineC23H17N3O2S399.4686 / 05.7No
CHEMBL596804C30H28FN5O3525.5845 / 14.3No
CHEMBL598021C30H28FN5O3525.5845 / 14.3No
CHEMBL596602C30H28FN5O3525.5845 / 14.3No
SMR000023524C17H26N2O2290.4073 / 04.2Yes
SCHEMBL507891C22H21F3N2O4S466.4758 / 13.7Yes
CHEMBL366275C23H30N4O3S442.5785 / 12.6Yes
CHEMBL235154C22H21N3O2359.4294 / 13.0Yes
CHEMBL352181C26H30N4S430.6143 / 24.8Yes
CHEMBL595235C13H11ClFN3OS311.7595 / 13.5Yes
CHEMBL88293C24H27ClN2O2410.9423 / 15.0Yes
CHEMBL489618C21H26FNO3359.4415 / 13.4Yes
CHEMBL112991C28H22Cl2F3N3O3S608.4578 / 17.2No
CHEMBL348369C17H17N3263.3442 / 13.2Yes
AC1MGWUVC22H21NOS347.4762 / 14.6Yes
AC1M6LD1C17H18F2N2O4352.3386 / 23.8Yes
AC1MGB6YC17H19N3O4329.3565 / 13.1Yes
MLS000057790C18H13N3O3319.326 / 13.7Yes
CHEMBL37661C22H27N305.4651 / 05.5No
CHEMBL39483C22H27N305.4651 / 05.5No
MLS001308101C16H18FNO2275.3234 / 03.2Yes
2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamideC15H14N4O4S346.3618 / 12.3Yes
CHEMBL3634421C20H12F2N2O4382.3236 / 13.3Yes
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthioureaC20H20ClN3O3S417.9084 / 12.9Yes
CHEMBL3601377C23H26N4O4422.4857 / 01.7Yes
SMR001290000C24H22N2O5S450.5096 / 24.1Yes
CHEMBL30086C36H28N8O2604.6747 / 04.8No
CHEMBL3265169C28H39FN4O4S546.7028 / 33.3No
CHEMBL1361690C24H18BrN3O3476.334 / 24.8Yes
CHEMBL1557624C24H22ClN3O4451.9075 / 14.0Yes
CHEMBL181062C26H25ClN6O4520.9747 / 16.3No
CHEMBL58702C23H34N4O2398.5514 / 02.6Yes
AC1NEXU3C22H23N3O5S441.5027 / 12.3Yes
CHEMBL134294C39H65N7O2663.9967 / 34.9No
N-[2-(propan-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amineC13H18N2S234.3612 / 13.2Yes
1-(4-methylpiperazin-1-yl)-4-phenylphthalazineC19H20N4304.3974 / 03.0Yes
CHEMBL3613140C24H16ClN5O2S473.9358 / 15.2No
CHEMBL119145C22H24N4O2376.463 / 32.4Yes
AC1LOLTYC16H13N3O2279.2995 / 13.9Yes
MLS003117164C20H15F5N4O4470.35611 / 2N/ANo
CHEMBL3322638C27H36N6O7556.6210 / 31.5No
8-PhenylxanthineC11H8N4O2228.2113 / 30.9Yes
1-phenyl-1H-1,2,3-triazole-4-carbaldehyde oximeC9H8N4O188.194 / 11.4Yes
MLS003231147C23H27ClF3N3O2S501.9938 / 2N/ANo
MLS000118524C21H25FN4OS400.5165 / 14.3Yes
AC1M0NAQC18H19NO4S2377.4736 / 04.8Yes
CHEMBL570193C18H20Cl2N2335.2722 / 05.9No
1-(3-Nitro-benzyl)-4-(4-nitro-phenyl)-piperazineC17H18N4O4342.3556 / 03.0Yes
BilastineC28H37N3O3463.6225 / 12.3Yes
AC1LLNFYC21H16N2O2S2392.4915 / 05.2No
MLS003123249C21H15F4N5O2445.3789 / 24.7Yes
SMR000035518C20H18BrN5O3456.35 / 02.5Yes
SMR000121665C24H35N3O5445.567 / 4N/AN/A
4-bromo-N'-[(4-methoxy-1-naphthyl)methylene]-1-methyl-1H-pyrazole-5-carbohydrazideC17H15BrN4O2387.2374 / 13.4Yes
CHEMBL218825C50H66N10O10S21031.2614 / 120.4No
CHEMBL3113624C23H36N2O4S436.6115 / 04.2Yes
CHEMBL1929362C27H30N2O398.553 / 15.8No
AC1OWPG0C18H15N3O6S401.3939 / 12.4Yes
CHEMBL84660C24H30N2OS394.5773 / 04.5Yes
MLS000573697C17H21Cl3N4OS2467.8524 / 35.6No
AC1MY8DAC22H23N5O4421.4578 / 02.4Yes
SCHEMBL1990572C17H18ClN3O2331.83 / 32.1Yes
N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-benzimidazol-2-yl}ethyl)-2,2-dimethylpropanamideC24H30ClN3O2427.9733 / 15.4No
AC1MA3W8C20H23N3O4369.4214 / 11.8Yes
AC1MQYWBC14H14N2O4S2338.3966 / 20.9Yes
AC1NK9QQC22H18ClN5O3S467.9287 / 13.8Yes
CHEMBL3121728C27H31ClN6O3523.0346 / 13.6No
CHEMBL70952C25H24N2O368.482 / 15.0Yes
CHEMBL457025C25H35N3O393.5754 / 14.8Yes
CHEMBL457024C25H35N3O393.5754 / 14.8Yes
CHEMBL250552C25H35N3O393.5754 / 14.8Yes
SCHEMBL1615993C23H29NO4S415.5485 / 14.3Yes
N-(3-chloro-2-methylphenyl)azepane-1-carbothioamideC14H19ClN2S282.831 / 13.9Yes
AC1LTNH7C20H19N5O2361.4055 / 12.5Yes
MLS001083117C25H27N5O413.5253 / 23.2Yes
SMR000032859C23H25ClN2O4428.9134 / 01.9Yes
SCHEMBL18993317C23H29N5O391.5196 / 14.7Yes
AC1M0YZEC17H21N3O3S347.4336 / 13.1Yes
CHEMBL540094C24H30Cl2N4O3493.4296 / 2N/AN/A
4365 CTC14H20N2O232.3272 / 12.7Yes
SMR000073214C17H17N3O6S391.3988 / 21.2Yes
CHEMBL3908425C21H27F2N5O3435.4769 / 03.0Yes
SCHEMBL15597014C31H27ClF4N6O2S659.10110 / 37.8No
CHEMBL1650163C18H13F2N3O325.3195 / 13.2Yes
CHEMBL476264C18H29NO3307.4344 / 03.4Yes
CHEMBL3246230C12H19BrClNO2324.6433 / 3N/AN/A
MLS001122680C24H29N3O6S487.5717 / 12.3Yes
CHEMBL3659195C22H21FN4O2392.4345 / 03.4Yes
MLS-0106925.0002C21H26Cl2FNO2414.3425 / 2N/AN/A
CHEMBL2011712C19H20N4OS352.4565 / 03.9Yes
MLS002667678C17H18BrN5O4S468.3269 / 42.0Yes
CHEMBL3085403C15H22BrClN2O4409.7055 / 4N/AN/A
CHEMBL374468C51H66N10O12S21075.2716 / 13-2.4No
CHEMBL413777C23H31NO2353.5063 / 15.7No
AC1OFM4WC20H17FN4OS2412.5016 / 14.6Yes
CHEMBL297440C18H17N3O291.3544 / 11.7Yes
CHEMBL373830C17H18N2O2282.3433 / 22.6Yes
CHEMBL2018387C29H40F3N5O4579.6658 / 64.3No
5-(4-bromophenyl)-N-phenyl-2-furamideC17H12BrNO2342.1922 / 14.5Yes
CHEMBL313797C26H28ClFN2O2454.975 / 15.5No
CHEMBL610601C30H31N7O6585.6219 / 52.3No
MLS002698641C37H44N4O4608.7834 / 25.3No
CHEMBL1396454C22H15F2N5387.3946 / 14.8Yes
CHEMBL1257447C22H27N5OS409.5526 / 03.5Yes
N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamideC27H38N4O4482.6254 / 13.3Yes
CHEMBL326861C27H36N2O7S532.6529 / 11.4No
CHEMBL2035935C20H23N3O2337.4233 / 31.1Yes
MLS001176008C16H13BrN2O2345.1963 / 03.2Yes
AC1NKBV6C23H31NO3369.5054 / 14.4Yes
CHEMBL113995C25H31N5O7513.5518 / 7-2.8No
CHEMBL556537C70H89F6N11O151438.5322 / 145.8No
CHEMBL112994C22H29N3O5S2479.618 / 42.4Yes
CHEMBL121065C22H28N4O3S428.5517 / 03.8Yes
CHEMBL1088284C25H17F3N2O2434.4187 / 15.0Yes
BDBM50054356C19H25N5O4387.446 / 11.6Yes
SB-0304C25H29N5O5479.5376 / 4-0.2Yes
CHEMBL1834250C25H29N5O5479.5376 / 4-0.2Yes
ZINC00130139C17H16N2O4312.3254 / 21.7Yes
BDBM50201676C11H13N5O2247.2584 / 30.2Yes
DSSTox_CID_27783C16H23NO15469.35216 / 12N/ANo
CHEMBL1924050C29H38FN2O2+465.6334 / 05.6No
CHEMBL1288285C29H35ClF3N3O534.0646 / 16.8No
MLS000027919C24H22N4O3S446.5256 / 13.3Yes
SCHEMBL16607448C25H16F4N2O3468.4087 / 05.4No
CHEMBL146989C21H28N2O2340.4673 / 03.1Yes
Tetrahydro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dioneC18H21F3N4O2382.3877 / 02.5Yes
4-{[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino}benzoic acidC17H14N4O3322.3245 / 22.4Yes
UPCMLD04ADMT001034C31H36N2O4500.6394 / 35.2No
SCHEMBL1497826C22H20Cl3N3OS480.8325 / 16.5No
CHEMBL306216C32H33FN8O2580.6689 / 22.8No
MLS000591296C22H20ClN3O3S441.936 / 14.1Yes
MLS000056144C18H20N4O3S372.4437 / 13.0Yes
875014-22-5C25H32N2OS408.6042 / 17.4No
CHEMBL3955601C25H28N6412.5415 / 14.6Yes
MLS002472201C30H29FN2O4500.575 / 14.6No
CHEMBL3814950C26H36N4O2436.65 / 33.5Yes
CHEMBL3959737C21H25Cl2N5O3S498.4236 / 23.6Yes
hexachloropheneC13H6Cl6O2406.8892 / 27.5No
CHEMBL229911C13H10FNOS247.2874 / 03.2Yes
CHEMBL199111C24H31N3O5S473.5887 / 21.9Yes
CHEMBL2158955C47H61N9O8S912.1210 / 93.2No
BAS 09589468C24H25NO7439.4648 / 13.0Yes
CHEMBL540930C31H29ClF4N4O2601.0437 / 25.0No
CHEMBL324759C29H30F2N4O3520.5817 / 04.0No
CHEMBL112466C29H30F2N4O3520.5817 / 04.0No
CHEMBL113151C29H30F2N4O3520.5817 / 04.0No
CHEMBL366905C15H12N6O292.3026 / 21.5Yes
SCHEMBL15987890C26H31ClN4O2467.014 / 14.1Yes
SCHEMBL17056275C18H21ClIN413.7271 / 06.3No
AC1NIMSYC26H34N4O6498.587 / 14.1Yes
AMILORIDE HYDROCHLORIDEC6H9Cl2N7O266.0865 / 5N/AN/A
(1-Ethyl-1H-benzoimidazol-2-yl)-phenyl-methanolC16H16N2O252.3172 / 12.6Yes
CHEMBL417766C28H33NO399.5782 / 16.1No
SMR000142357C21H24ClNO3373.8774 / 14.1Yes
CHEMBL207543C22H26Cl2N6445.3925 / 04.3Yes
MLS001099132C24H21N5O3S2491.5849 / 03.9Yes
AC1MNWJ1C12H20N6O2280.3327 / 12.4Yes
MLS000080402C21H22N2O5382.4166 / 22.0Yes
MLS001105396C21H20FN3O3381.4075 / 13.0Yes
MLS001099459C20H19N3O3S381.455 / 13.1Yes
N-[(2-chloropyridin-3-yl)carbamothioyl]furan-2-carboxamideC11H8ClN3O2S281.7144 / 22.8Yes
CHEMBL207203C23H24ClNO5S461.9575 / 23.0Yes
CHEMBL378744C23H24ClNO5S461.9575 / 23.0Yes
CHEMBL565654C20H17N3OS347.4365 / 14.7Yes
MLS000950123C23H19BrN2O5483.3185 / 34.3Yes
N-CyclopropylmethylnorazidomorphineC20H24N4O2352.4385 / 14.1Yes
CHEMBL488787C29H20Cl3N7O588.8776 / 06.9No
CHEMBL3675725C28H38N6O2490.6526 / 22.6Yes
CHEMBL277678C28H18Cl2N6OS557.4535 / 05.1No
CHEMBL3806146C14H20N6272.3563 / 31.7Yes
CHEMBL3804837C14H20N6272.3563 / 31.7Yes
MLS002155828C23H29N3O4S443.5626 / 12.9Yes
CHEMBL94582C27H24ClF3N4O4S593.0188 / 16.1No
AC1LDFVBC13H7Cl2N3O3324.1175 / 03.6Yes
MLS002170095C15H22N2O3278.3523 / 22.7Yes
CHEMBL3781035C25H33NO4411.5425 / 15.2No
2,6-DichlorophenethylamineC8H9Cl2N190.0671 / 12.5Yes
MLS002169407C24H39N3O4S465.6536 / 14.0Yes
CHEMBL3780505C20H17NO5351.3586 / 12.8Yes
SMR000044012C23H31N5O2409.5347 / 03.7Yes
AC1M79TCC17H19N5O3S3437.5519 / 23.3Yes
AC1LO0JFC24H25N3O4S451.5416 / 13.8Yes
CHEMBL551535C19H25N3O2327.4283 / 22.7Yes
MLS000037786C19H14N2O3S350.3926 / 03.7Yes
SCHEMBL786387C28H26F2N2O2460.5254 / 25.9No
SMR000062829C19H17NO4323.3485 / 04.0Yes
CHEMBL21939C35H35N3O2529.6843 / 17.0No
CHEMBL497202C26H32F3N3O4S2571.6749 / 24.1No
SMR000078129C15H15F3N2O2S344.3528 / 03.2Yes
CHEMBL3264203C22H23FN2O350.4372 / 14.6Yes
CHEMBL185094C39H43ClFN5O2668.2546 / 36.3No
SCHEMBL6114888C25H30BrNO5504.4216 / 23.8No
MLS001116889C19H22N2O4S2406.5156 / 12.4Yes
CHEMBL1259079C26H28N2S400.5843 / 05.7No
MLS002174398C27H26ClNO4S496.0185 / 16.0No
VU0152123C20H23N3O3S385.4826 / 24.6Yes
SCHEMBL1671936C21H23N7O389.4636 / 02.8Yes
4-(dipropylamino)-3-nitrobenzoic acidC13H18N2O4266.2975 / 13.2Yes
CHEMBL298953C18H23NO3301.3864 / 14.1Yes
CHEMBL574111C13H18ClNO239.7432 / 23.4Yes
SMR000044353C20H24N6OS396.5138 / 12.6Yes
CHEMBL25493C18H24Cl2N2O355.3032 / 14.1Yes
CHEMBL479542C21H18N4O2358.4014 / 13.0Yes
CHEMBL3894723C26H26N6O2454.5346 / 03.8Yes
NSC-309874C26H23ClN2OS446.9933 / 16.6No
NSC309874C26H23ClN2OS446.9933 / 16.6No
5-bromo-1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone]C15H11BrN4O2S391.2434 / 44.3Yes
CHEMBL210461C31H35Cl2N3O536.5413 / 17.3No
6-bromo-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamideC24H23BrN4O463.3793 / 14.7Yes
CHEMBL3940897C23H25F3N6S474.559 / 03.3Yes
CHEMBL3939830C23H25F3N6S474.559 / 03.3Yes
CHEMBL3665855C27H26F3N3O5529.51610 / 12.0No
1-((4-chlorophenyl)sulfonyl)-3-(3-isopropoxypropyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxalineC21H23ClN4O3S446.957 / 04.2Yes
CHEMBL2402575C17H16ClN3O4S393.8425 / 23.2Yes
AC1NHX26C22H25N3O4S427.5196 / 13.2Yes
3,5-dimethoxy-N-(4-phenylbutyl)benzamideC19H23NO3313.3973 / 13.8Yes
ethyl 4-(4-acetamidobenzoyl)piperazine-1-carboxylateC16H21N3O4319.3614 / 10.6Yes
CHEMBL3904360C28H26FNO5475.5166 / 14.1Yes
CHEMBL3393556C16H25N5287.4115 / 21.8Yes
CHEMBL3393557C16H25N5287.4115 / 21.8Yes
CID 118733042C10H8N4OS232.2614 / 11.1Yes
AC1LQS52C21H19BrN2O3S459.3584 / 24.3Yes
2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}quinolineC16H9F3N2O2S350.3157 / 05.3No
CHEMBL16994C23H25ClN4O3S472.9885 / 02.9Yes
SMR000207040C21H19ClN2O3S414.9044 / 13.9Yes
MLS000672046C24H24ClN3389.9272 / 2N/AN/A
CHEMBL584528C20H21F4NO2383.3876 / 04.0Yes
N-[(diallylamino)carbonothioyl]-4-methoxybenzamideC15H18N2O2S290.3813 / 12.8Yes
CHEMBL1556836C25H24N2O4S448.5376 / 15.8No
MLS000702820C24H32Cl2N2O3467.4315 / 2N/AN/A
SMR000003331C16H21N3O4S351.4217 / 02.5Yes
MLS001090492C20H19F2N3O355.3894 / 24.3Yes
CHEMBL124917C20H29ClN2O4396.9124 / 34.2Yes
CHEMBL2179751C29H35N3O2457.6183 / 25.6No
CHEMBL52933C27H26F2N2O432.5154 / 16.4No
CHEMBL54935C27H26F2N2O432.5154 / 16.4No
CHEMBL3731529C13H10N4OS2302.376 / 03.7Yes
CHEMBL156206C30H38ClN5O6S632.17310 / 23.3No
CHEMBL1271756C22H30Cl3N5O486.8665 / 2N/AN/A
CHEMBL361349C27H31Cl2N3O4532.4626 / 16.0No
CHEMBL387217C24H20ClN5OS461.9685 / 15.6No
3-[(2-chloro-4-fluorobenzyl)thio]-N-(2,5-dimethoxybenzyl)propanamideC19H21ClFNO3S397.8895 / 13.8Yes
CHEMBL236931C30H30F3N3O5569.5819 / 32.5No
CHEMBL1562390C17H13ClFN5341.7745 / 15.3No
CHEMBL382252C29H38Cl2N4O4S609.6076 / 14.3No
CHEMBL470849C25H28N4O2416.5255 / 13.8Yes
CHEMBL3810032C25H26N4382.5113 / 15.7No
Coumarin-3-carboxylic acidC10H6O4190.1544 / 12.2Yes
CHEMBL1552281C20H21BrN2O4S465.3625 / 13.3Yes
CHEMBL103001C24H21NO5403.4346 / 13.8Yes
MLS001094893C23H27N3O361.4892 / 04.1Yes
CHEMBL157064C19H15ClN2O3354.794 / 24.3Yes
AC1LA24OC35H44N4O536.7644 / 06.8No
CHEMBL379736C19H30N4O5S426.5326 / 35.0Yes
MLS000085359C17H21NO3287.3594 / 03.2Yes
CHEMBL3317731C21H11ClFN3OS407.8476 / 06.1No
CHEMBL2035943C28H35ClN4O2495.0644 / 23.2Yes
CHEMBL339780C15H16N4O4316.3176 / 4N/AN/A
MLS003178969C34H33FN2O5S2632.7658 / 05.5No
BDBM50306383C19H14N2O3S350.3925 / 24.1Yes
CHEMBL221674C32H36N6O3552.6796 / 33.9No
MLS000536050C16H16N4O2S2360.457 / 13.5Yes
MLS001070905C20H26N4O5S2466.5718 / 22.2Yes
CHEMBL1094143C25H19N5O405.4614 / 14.6Yes
2-(3-chlorobenzyl)-N-ethyl-N-(2-hydroxyethyl)-1,3-benzoxazole-6-carboxamideC19H19ClN2O3358.8224 / 13.5Yes
paxillineC27H33NO4435.5644 / 33.5Yes
CHEMBL2373196C34H36Cl2N2O2S607.6344 / 07.4No
SMR000047763C22H16ClN5O2S449.9136 / 15.2No
CHEMBL1801095C35H46ClF2N3O2614.2195 / 06.4No
CHEMBL1801094C35H46ClF2N3O2614.2195 / 06.4No
CHEMBL3730717C29H31NO2425.5723 / 14.9Yes
CHEMBL1181117C10H23NO2189.2993 / 21.2Yes
CHEMBL1514237C19H25N3O4S391.4865 / 11.7Yes
CHEMBL519340C20H26FN5O371.466 / 15.1No
3-benzyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-oneC14H18N2OS262.3712 / 13.0Yes
CHEMBL3669566C27H28N4O424.5483 / 14.1Yes
MLS002177825C27H23ClN2O4474.9414 / 14.2Yes
CHEMBL1085836C32H33N3O4S555.6936 / 15.0No
MLS000718725C16H18ClN5315.8054 / 03.6Yes
AC1NOEOQC25H24N4O2S444.5536 / 13.0Yes
CHEMBL20644C31H26ClN5S536.0944 / 07.1No
AC1OO2DIC17H13F3N2O2S2398.4188 / 13.9Yes
CHEMBL3760044C18H20N2O3312.3693 / 23.3Yes
ASN 12772663C16H19N3O4S349.4057 / 13.4Yes
(2-Chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azaniumC14H19ClN3O2+296.7752 / 21.7Yes
CHEMBL3264371C21H21F2N5O397.437 / 12.6Yes
2-[(7-methyl-2-phenylimidazo[1,2-a]pyrimidin-5-yl)oxy]acetic acidC15H13N3O3283.2875 / 13.1Yes
SMR000132570C14H14BrClN4O3S433.7056 / 32.1Yes
CHEMBL2158341C15H11N3O5S345.3299 / 01.5Yes
CHEMBL94918C24H25N3O6S483.5397 / 13.3Yes
MLS003674594C24H23N3OS401.5283 / 15.2No
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamideC21H16N2O5376.3686 / 13.8Yes
CHEMBL2204975C24H33N5O3S471.628 / 02.8Yes
CHEMBL89448C16H24N4O2304.3944 / 31.4Yes
SMR000172606C24H18ClN3O3S2495.9967 / 05.9No
3-iodo-5-(pyridin-2-ylethynyl)benzonitrileC14H7IN2330.1282 / 03.3Yes
CHEMBL266339C95H159N31O28S2215.5735 / 37-13.1No
CHEMBL1517150C22H24BrN3O3458.3565 / 05.1No
CHEMBL190975C31H42N4O4534.7016 / 25.1No
CHEMBL361664C31H42N4O4534.7016 / 25.1No
CHEMBL192295C31H42N4O4534.7016 / 25.1No
AC1NMWFKC22H16F2N2O2378.3794 / 13.8Yes
MLS000418503C21H13N3OS355.4155 / 04.8Yes
SMR000264179C31H28N6O500.6065 / 16.1No
332358-89-1C21H23NO4S385.4786 / 13.9Yes
MLS000684512C15H14ClN3O3S351.8054 / 33.2Yes
CHEMBL346718C21H21BrCl2N4O3528.2284 / 04.8No
CHEMBL1186493C23H27ClN4394.9474 / 25.6No
MLS001164784C22H21N3O2S391.4893 / 13.7Yes
AC1MPKHRC23H25ClN4O4S2521.0477 / 24.0No
AC1LHPJMC10H9N3O4S267.2595 / 01.5Yes
CHEMBL123722C23H18Cl2FNO3S478.3596 / 16.2No
CHEMBL2313274C16H17N5O2311.3454 / 10.8Yes
MLS001078846C23H37N3O3S435.6275 / 22.9Yes
SMR000259380C26H22F2N4O3S508.5448 / 14.2No
MLS003120552C22H13F4NO2399.3456 / 15.1No
N-ethyl-2-(3-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamideC20H21N3O4367.4056 / 03.2Yes
SMR000005020C25H28N6O3460.5388 / 03.4Yes
SMR000020966C22H21N3O4S423.4876 / 32.4Yes
CHEMBL1513973C21H29N5O367.4976 / 02.2Yes
ciproxifanC16H18N2O2270.3323 / 12.5Yes
MLS000881448C23H30N2O2366.5053 / 04.0Yes
AC1NMN1LC27H24FN3O3S489.5657 / 36.8No
CHEMBL343817C18H19FN4310.3764 / 13.9Yes
1-(2,5-dimethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thioneC16H19N3OS301.4083 / 13.0Yes
CHEMBL542094C15H22BrN296.2521 / 04.7Yes
AC1NERWIC10H9ClN4OS2300.7796 / 12.4Yes
MLS001150481C18H18BrFN2O4S457.3147 / 03.1Yes
SMR000149973C21H17F2NO3S401.4286 / 15.7No
MLS000717658C19H21N3O3S371.4555 / 12.9Yes
MLS001201721C19H16Cl2N2O4S439.3075 / 14.4Yes
CHEMBL183261C32H39N3O481.6842 / 16.4No
CHEMBL1555201C16H13ClN4O2S3424.9367 / 14.1Yes
CHEMBL536302C14H21IN6400.2682 / 5N/AN/A
3,4-dichloro-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)benzamideC18H13Cl2NO3362.2063 / 14.4Yes
MLS000882886C25H26Cl2N2O2457.3952 / 14.8Yes
CHEMBL1915051C13H13ClN6O304.7387 / 21.1Yes
MLS003673537C21H23N7O389.4636 / 12.6Yes
MRS2768C17H24N2O16P4636.27216 / 5-2.1No
MLS000662404C18H17ClN2O4360.7944 / 04.2Yes
CHEMBL180319C15H17N3S2303.4424 / 03.0Yes
CHEMBL138807C16H19NO3273.3323 / 21.8Yes
5-(4-propoxyphenyl)-1,3,4-thiadiazol-2-amineC11H13N3OS235.3055 / 12.5Yes
CHEMBL603861C21H20F2N4O4430.4127 / 02.2Yes
SCHEMBL2683850C20H21BrN2O2401.3042 / 23.1Yes
SMR000033485C23H28ClN5O4473.9586 / 31.7Yes
CHEMBL314533C38H34N2O4S614.764 / 17.6No
CHEMBL385399C29H31F3N6O3568.6017 / 24.0No
AC1M7J4LC20H18FNO2323.3673 / 04.3Yes
CHEMBL128328C26H39N3O3S473.6765 / 23.6Yes
CHEMBL3667579C20H24N2O5S404.4816 / 12.8Yes
CHEMBL2304114C97H126N18O19S1880.2421 / 157.8No
CHEMBL3813771C44H67N11O12S21006.2114 / 10-1.6No
CHEMBL262319C33H37Cl2F3N4O633.5817 / 16.7No
CHEMBL272694C29H32N6OS512.6767 / 05.6No
CHEMBL2310837C20H25ClN2O344.8832 / 04.0Yes
CHEMBL1475979C25H24N2OS400.543 / 15.4No
AC1MBNUZC19H21ClN2O5S424.8966 / 02.6Yes
4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-oneC27H26N4O2438.5314 / 03.8Yes
SCHEMBL4536732C23H24N2O3S408.5165 / 03.8Yes
SMR000046286C20H23N5O4S2461.5558 / 21.9Yes
CHEMBL336690C22H26FN3O2383.4675 / 14.4Yes
UPCMLD04BGHW001051C19H19NO3309.3653 / 13.0Yes
ASN 06349869C16H19ClN4O3S2414.9237 / 13.1Yes
SMR000009624C16H26N4O2S338.474 / 13.8Yes
CHEMBL433089C19H23NO6361.3947 / 3-0.5Yes
MLS000774311C21H33N3O7S471.5699 / 4N/AN/A
CHEMBL245716C25H35ClN2O2431.0174 / 05.7No
AC1MFNMLC21H23ClN2O3S418.9364 / 14.3Yes
CHEMBL3352998C22H21ClN2O2S412.9323 / 14.2Yes
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamideC16H13N3O3S3391.4787 / 13.1Yes
CHEMBL1394841C25H31N5O2433.5566 / 04.5Yes
CHEMBL260169C31H39N3O3S533.7315 / 06.5No
CHEMBL139457C33H36N4O8S648.7319 / 35.2No
AC1M6VSBC19H14FNO5355.3216 / 13.0Yes
MLS003120947C25H30N6O2446.5557 / 23.6Yes
MLS001105891C17H15F2N3O3S379.3828 / 13.0Yes
CHEMBL416835C24H28FN3O393.5064 / 13.9Yes
CHEMBL53662C23H23FN4O390.4625 / 04.7Yes
CHEMBL261682C20H19BrN4O3S475.3616 / 13.3Yes
CHEMBL363169C25H29N5O4463.5387 / 33.3Yes
CHEMBL1669389C21H22ClN3O2383.8764 / 03.7Yes
MLS000574219C18H13ClN2O3340.7633 / 12.9Yes
CHEMBL327928C21H25NO2323.4363 / 13.4Yes
MLS000518743C25H20ClN3O3445.9035 / 05.3No
ASN 06588476C19H24N4OS2388.5485 / 13.2Yes
CHEMBL3925949C38H55N9O6733.9159 / 7-0.5No
SCHEMBL11932315C38H55N9O6733.9159 / 7-0.5No
CHEMBL202563C25H30N4O402.5424 / 14.7Yes
CHEMBL200759C30H33ClFN5O3566.0745 / 34.7No
MLS000087448C23H28N2O3380.4884 / 04.6Yes
CHEMBL540897C38H68N4OP+627.9632 / 39.0No
BDBM50045221C38H69N4OP+2628.9711 / 49.0No
CHEMBL3900220C18H23N5O3357.4145 / 20.3Yes
CHEMBL124887C23H20N6O2412.4536 / 23.8Yes
MLS002473875C35H38N4O5594.7127 / 24.6No
SMR000127728C22H22N4O358.4453 / 04.2Yes
SMR000471067C31H29N3O4507.594 / 04.1No
MLS000936150C25H28N4O5464.5226 / 12.9Yes
CHEMBL301238C32H32N4472.6363 / 17.1No
CHEMBL76455C32H33N3O4523.6334 / 36.3No
AC1MCAKTC21H17F3N4O3430.3878 / 24.0Yes
Oprea1_767840C23H16FNO4389.3825 / 15.5No
MLS000537663C24H21NO2355.4372 / 14.1Yes
CHEMBL1324134C22H23ClN2O4414.8864 / 24.7Yes
AC1MEW7HC18H17Br2N3O451.1622 / 1N/AN/A
CHEMBL368092C18H21N9O2395.42710 / 21.6Yes
CHEMBL3970705C28H31N5O6S565.64510 / 23.2No
CHEMBL181161C37H45ClN10O5745.2826 / 92.0No
N'-(3-methylphenyl)cyclobutanecarbohydrazideC12H16N2O204.2732 / 22.8Yes
MLS001157659C21H19N3O4S409.466 / 24.8Yes
MLS002698820C35H40N4O4580.7294 / 24.0No
CHEMBL198473C26H28FNO2405.5134 / 06.2No
CHEMBL96732C20H23NO293.412 / 03.6Yes
CHEMBL329566C20H23NO293.412 / 03.6Yes
CHEMBL92667C20H23NO293.412 / 03.6Yes
CHEMBL329268C20H23NO293.412 / 03.6Yes
CHEMBL327651C20H23NO293.412 / 03.6Yes
CHEMBL371352C20H23NO293.412 / 03.6Yes
AC1M8Z1YC19H21N3OS2371.5176 / 04.4Yes
CHEMBL1900672C25H25N3O7S511.5498 / 23.1No
MLS001099403C18H17BrN2O5421.2476 / 03.5Yes
2-(3-Cyclopentyl-1-propynyl)adenosineC18H23N5O4373.4138 / 41.8Yes
CHEMBL542148C14H17NO2231.2953 / 02.0Yes
MLS000731978C24H43N3O389.6283 / 04.4Yes
CHEMBL93843C29H29F3N6O2550.5868 / 12.5No
CHEMBL400424C24H23N7O2441.4956 / 23.9Yes
CHEMBL282874C20H20N2O304.3932 / 13.5Yes
MLS002608817C31H37N5O5559.6676 / 21.0No
CHEMBL458516C28H27N5O6529.55310 / 24.0No
N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamideC19H21N3O5371.3935 / 23.3Yes
SCHEMBL3614884C12H16N2O204.2732 / 11.9Yes
SCHEMBL17944464C25H23N3O4429.4765 / 33.0Yes
ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylateC26H30N2O7S2546.6539 / 14.1No
MLS000390220C15H20BrN3S354.312 / 24.3Yes
690249-56-0C17H14N4O2S338.3855 / 13.1Yes
CHEMBL1434318C18H17N3O291.3544 / 14.1Yes
3-methyl-4-[(4-methylphenyl)sulfanyl]isoxazolo[5,4-d]pyrimidineC13H11N3OS257.3115 / 03.5Yes
AC1MGGR7C18H28ClNO6389.8737 / 3N/AN/A
CHEMBL2018573C28H25F2N5O3517.5377 / 14.9No
MLS000333603C18H15N3O2S337.3975 / 13.6Yes
CHEMBL2031277C31H29N3O6539.5886 / 35.7No
CHEMBL3736163C18H22N6O338.4156 / 02.3Yes
CHEMBL159093C24H20ClF3N2O6524.87710 / 25.7No
MLS000082992C16H13FN6S340.386 / 12.7Yes
CHEMBL3913414C17H18Cl2N2O6417.2397 / 4-1.9Yes
CHEMBL484356C23H24BrNO2426.3543 / 4N/AN/A
TANDOSPIRONE HYDROCHLORIDEC21H30ClN5O2419.9546 / 1N/AN/A
CHEMBL303580C15H18N3O3+288.3275 / 21.6Yes
RutaecarpineC18H13N3O287.3222 / 13.0Yes
MLS001079676C26H31N3O5S497.617 / 23.6Yes
AC1NJE6BC20H23N3O5S417.486 / 00.5Yes
CHEMBL262961C58H80N12O181233.3419 / 17-3.3No
CHEMBL3741516C27H30FN3O2447.5545 / 04.7Yes
MLS000078748C20H22N4O3366.4217 / 02.6Yes
CHEMBL3652596C18H16BrClN4O3S483.7656 / 23.0Yes
CHEMBL1940530C30H34BrClN4OS614.0435 / 16.0No
AC1MDD7XC15H19ClN4O3S370.8525 / 22.6Yes
CHEMBL3287049C31H33ClFN5O2S594.1467 / 37.4No
CHEMBL557995C22H27ClFN3O2419.9256 / 2N/AN/A
CHEMBL128232C18H23NO2285.3873 / 13.9Yes
BAS 07213528C19H18N2O3322.3643 / 12.9Yes
MLS000086795C24H28ClN5O4485.9696 / 22.0Yes
AC1M63IHC24H20BrN3O6S558.4038 / 23.9No
AC1MLEHSC22H27N3O2S397.5373 / 23.6Yes
137862-87-4C24H29N5O3435.5286 / 24.4Yes
valsartanC24H29N5O3435.5286 / 24.4Yes
ASN 06224758C22H29N3S2399.6153 / 25.0Yes
CHEMBL515442C19H20ClIN6O5574.769 / 41.7No
CHEMBL545372C22H27Cl2N5OS480.4526 / 3N/AN/A
CHEMBL293026C44H52N8O10852.94610 / 103.7No
SCHEMBL2360200C13H11FN4O258.2565 / 22.5Yes
MLS000589671C19H16ClN3O3S401.8656 / 24.5Yes
CHEMBL2031274C27H29N3O6491.5446 / 34.8Yes
US9212196, Derivative 9C13H16Cl2NO8P416.1449 / 5-2.6Yes
CHEMBL3974450C13H16Cl2NO8P416.1449 / 5-2.6Yes
CHEMBL574700C36H46N6O3610.8038 / 25.4No
diethyl 2,4-diacetyl-3-[4-(3-methylbutoxy)phenyl]pentanedioateC24H34O7434.5297 / 03.9Yes
CHEMBL2036255C22H19ClN4O2406.874 / 13.9Yes
CHEMBL1515521C23H25N3O6S471.5287 / 21.8Yes
CHEMBL2152810C28H32N2O2S460.6364 / 16.6No
AC1NE6QEC15H11Cl3N2O341.6162 / 13.7Yes
CHEMBL90421C27H31F3N4O2500.5666 / 23.6No
CHEMBL328268C27H31F3N4O2500.5666 / 23.6No
MLS000053810C21H22N2O5382.4165 / 12.7Yes
CHEMBL1523298C17H19N5O2325.3725 / 11.9Yes
CHEMBL3955736C30H29F2NO4505.5626 / 15.6No
MLS001006960C15H13N3O3S2347.4077 / 13.2Yes
SMR000045989C18H22FN3O3S379.457 / 03.4Yes
MLS001097046C17H23N3O4S2397.5086 / 02.7Yes
ASN 06988541C14H16N2S244.3561 / 13.4Yes
CHEMBL180278C30H33N7O3539.649 / 13.8No
SCHEMBL2681994C20H24BrN3O2418.3353 / 32.1Yes
CHEMBL271839C23H31NO2353.5062 / 04.7Yes
SCHEMBL1671105C27H23FN4O438.5065 / 04.6Yes
BDBM50203804C75H110N24O181635.8521 / 23-5.7No
MLS002165899C18H16N2O5340.3356 / 13.1Yes
MLS000735134C24H29NO5411.4986 / 04.0Yes
CHEMBL1222596C28H32N8O496.6198 / 04.0Yes
CHEMBL331611C28H28N2392.5461 / 16.3No
CHEMBL3925964C29H27ClF3N3O5S622.05610 / 35.0No
CHEMBL216602C20H21N3O5383.4047 / 32.6Yes
CHEMBL2016619C50H62Cl2N10O2906.0148 / 210.1No
SMR000026069C20H24N2O3S372.4834 / 03.2Yes
MLS003170556C25H40N4O4460.6194 / 11.0Yes
CHEMBL218806C37H49N11O6743.878 / 90.2No
CHEMBL374421C37H49N11O6743.878 / 90.2No
CHEMBL351410C32H55N2O5+547.8015 / 08.8No
CHEMBL478643C23H22BrNO408.3391 / 15.8No
SMR000114589C19H18O262.3521 / 05.0Yes
MLS003117187C24H20ClN3O2417.8933 / 15.1No
CHEMBL252818C24H28N4OS420.5755 / 14.1Yes
MLS003118596C22H24F2N2O4S450.5016 / 13.5Yes
CHEMBL563618C18H21Cl2N3O2382.2853 / 03.8Yes
2-(3-((2-chlorobenzyl)sulfonyl)-1H-indol-1-yl)-N-ethyl-N-phenylacetamideC25H23ClN2O3S466.983 / 04.9Yes
SMR000221748C17H10BrF3N4OS2487.3139 / 15.1No
BDBM50027090C22H25BrN2O4461.3565 / 22.2Yes
CHEMBL608248C22H25BrN2O4461.3565 / 22.2Yes
AC1M32ADC18H21N3O5S391.4427 / 10.5Yes
CHEMBL51634C26H26N6O438.5355 / 15.6No
CHEMBL1598901C23H19ClFN3OS439.9334 / 15.3No
CHEMBL407372C28H25F6N5O4609.52911 / 14.9No
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamideC18H16N2O3S340.3975 / 13.7Yes
SMR000059326C14H15ClN2O2278.7364 / 1N/AN/A
CHEMBL1394296C30H30N2O4S514.644 / 15.0No
MLS-0454611.0002C19H17N3O303.3652 / 23.1Yes
CHEMBL164195C15H18BrN292.221 / 03.9Yes
CHEMBL413205C73H79N11O13S1350.5616 / 117.6No
896282-04-5C19H23N3O4S2421.536 / 22.6Yes
CHEMBL3970835C23H23N7O4461.4829 / 02.9Yes
SMR000046468C25H26N4O4S478.5677 / 14.1Yes
CHEMBL3715244C28H28F3N3O3511.5457 / 25.9No
1-(4-bromophenyl)-3-(3,3-dimethylbutan-2-yl)ureaC13H19BrN2O299.2121 / 23.8Yes
AC1O68MZC15H15FN2O2274.2953 / 22.5Yes
ASN 05804028C17H19N3O2297.3583 / 22.0Yes
CHEMBL3943469C24H20F3NO4443.4227 / 15.1No
CHEMBL344354C13H25NO2S259.4084 / 22.2Yes
BAS 00227770C23H30N2O6S462.5617 / 11.8Yes
694465-62-8C17H18N2O3S330.4024 / 03.8Yes
SMR000062585C22H27N5O5S473.5489 / 12.1Yes
ASN 04370784C15H12N2O3S2332.3927 / 03.4Yes
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamideC20H17N5OS2407.516 / 14.8Yes
RS-513815C25H23N5O2425.4925 / 13.6Yes
SCHEMBL6802950C25H23N5O2425.4925 / 13.6Yes
2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamineC14H15Cl2N3S2360.3155 / 14.6Yes
CHEMBL344342C19H24Cl2N2O367.3142 / 04.2Yes
MLS001129160C21H24Cl3N3O3S504.8515 / 04.1No
CHEMBL224114C26H20Cl3N3O496.8162 / 17.8No
ASN 04426639C16H25N5O3S367.4686 / 00.9Yes
SCHEMBL1990907C19H23N3O2325.4123 / 31.8Yes
1-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]ureaC14H18F3N3O301.3135 / 23.0Yes
CHEMBL225622C25H24Cl3N3O488.8372 / 17.7No
MLS001174414C20H23BrFN3O2436.3254 / 24.1Yes
CHEMBL2163952C30H32N2O3468.5974 / 15.9No
CHEMBL3326662C33H50N6OS2610.9245 / 25.3No
MLS003130156C30H34F3N3O5S605.6739 / 25.2No
MLS003125590C22H25NO3351.4463 / 04.1Yes
CHEMBL558838C21H28N6O380.4966 / 12.9Yes
CHEMBL2346732C18H14F4N4O378.3317 / 13.9Yes
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1H-indole-3-carbohydrazideC16H12N4O4324.2965 / 32.4Yes
CHEMBL3416041C14H19Cl2NO288.2122 / 2N/AN/A
CHEMBL3416040C14H19Cl2NO288.2122 / 2N/AN/A
MLS000331147C22H23ClN2O3398.8874 / 03.7Yes
CHEMBL1357048C22H25F4N3O423.4566 / 14.5Yes
CHEMBL337696C20H24N2O7S436.4799 / 4N/AN/A
CHEMBL1713358C17H17N3O6S391.3987 / 31.3Yes
SCHEMBL2590676C28H22FN2OPS484.5293 / 17.2No
BAS 03374980C19H22N6O3382.4249 / 22.8Yes
N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamideC17H17N3O3311.3414 / 31.7Yes
SCHEMBL1671801C23H23FN6O418.4767 / 02.9Yes
CHEMBL91326C24H34N4O2410.5625 / 14.2Yes
MLS001236764C17H16FN3O3S2393.4516 / 22.9Yes
N-[3-(methylthio)phenyl]-3-phenylpyrrolidine-1-carbothioamideC18H20N2S2328.4922 / 14.1Yes
CHEMBL2158345C18H13N3O6S399.3779 / 02.6Yes
MLS001141597C25H23N3O3S445.5375 / 14.4Yes
CHEMBL126981C33H57N2O5+561.8285 / 08.7No
SCHEMBL434942C28H26F3N5O4553.5429 / 13.6No
BDBM195750C28H26F3N5O4553.5429 / 13.6No
CHEMBL1440457C19H23ClN2OS362.9163 / 15.2No
SMR000106628C16H21N3O3303.3623 / 00.3Yes
[2-(4-Methoxy-phenylamino)-4-oxo-4H-thiazol-5-ylidene]-acetic acid methyl esterC13H12N2O4S292.3096 / 12.0Yes
CHEMBL2112158C21H23ClN6O3442.9047 / 41.7Yes
TCMDC-125142C26H38N2O4442.66 / 44.6Yes
CHEMBL540895C39H60ClN4OP667.363 / 3N/ANo
MLS000587548C24H22Cl2N2O2441.3524 / 2N/AN/A
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamideC19H21ClN2O3360.8384 / 13.5Yes
3-(phenylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamideC11H11N3O3S2297.3476 / 10.7Yes
CHEMBL3361427C22H36N6O400.5714 / 42.7Yes
AC1M4LCGC18H19NOS297.4162 / 13.8Yes
CHEMBL3359280C29H31FO8526.5579 / 04.3No
CHEMBL300022C29H39N3O6525.6466 / 14.3No
CID 77232001C208H345N57O61S4652.4569 / 60-18.0No
MLS000109037C13H16N2OS248.3444 / 02.8Yes
MLS001124201C26H32N4O4S496.6266 / 12.9Yes
CHEMBL87173C22H23N3O2361.4455 / 04.3Yes
CHEMBL402442C29H33BrFN3O2554.5044 / 25.1No
cid_654635C25H23NO6433.466 / 13.8Yes
CHEMBL1790547C40H48N8O6736.8748 / 23.0No
SMR000198124C21H20F3N3O4S467.4639 / 25.8No
ASN 05544458C23H21N3OS387.5014 / 15.2No
AC1OR1EKC18H23N3OS329.4624 / 13.7Yes
CHEMBL544661C21H35NO4S397.5745 / 23.8Yes
NCGC00012161C20H17N3O2331.3755 / 14.0Yes
CHEMBL434692C18H14BrNOS372.283 / 15.8No
CHEMBL188841C14H21NO219.3282 / 13.2Yes
SMR000129883C25H25N3O4431.4926 / 25.0Yes
CHEMBL1484206C24H21ClN4O5480.9056 / 22.7Yes
MLS001211760C21H16N2O6S2456.4878 / 23.1Yes
BDBM50097799C29H32N4O6S2596.71710 / 63.3No
CHEMBL2314316C18H14Cl2N2O3377.2214 / 04.1Yes
CHEMBL403967C33H47ClFN5O2600.226 / 14.8No
4-hydroxy-2-oxo-N'-[(E)-phenylmethylidene]-1,2-dihydroquinoline-3-carbohydrazideC17H13N3O3307.3094 / 32.9Yes
2-methoxy-N-[1-(1-pentylbenzimidazol-2-yl)-2-phenylethyl]acetamideC23H29N3O2379.5043 / 14.2Yes
AC1MNSQ2C22H21ClFN3O4S477.9356 / 22.5Yes
CHEMBL81703C25H25FN2O2S436.5455 / 13.9Yes
donepezilC24H29NO3379.54 / 04.3Yes
AC1MBC3FC17H15N3O3S2373.4458 / 34.7Yes
CHEMBL598444C23H24N4O2S420.5315 / 14.3Yes
CHEMBL597009C23H24N4O2S420.5315 / 14.3Yes
SR-02000000242C19H15Cl2NO2360.2342 / 15.8No
CHEMBL252559C28H29N3O3455.5584 / 36.2No
CHEMBL493781C19H23N5O337.4275 / 12.0Yes
CHEMBL1357046C19H17ClN4O2S400.8815 / 14.9Yes
CHEMBL3785839C24H29N3O375.5162 / 13.6Yes
CHEMBL2431727C51H56Cl2N8O4915.9616 / 67.6No
CHEMBL3735057C51H56Cl2N8O4915.9616 / 67.6No
CHEMBL2011457C24H20N2O4400.4344 / 13.8Yes
2-phenyl-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thioneC14H13NOS243.3242 / 03.3Yes
CHEMBL343527C18H14N4O4350.3345 / 11.8Yes
CHEMBL458002C29H28ClN5O2514.0265 / 24.3No
SCHEMBL4801347C23H27N3O3S2457.6077 / 24.4Yes
CHEMBL309992C22H26N4O4410.4746 / 13.1Yes
CHEMBL1784103C17H14ClFN2O3348.7586 / 13.9Yes
AC1P53WKC19H21NO4S359.445 / 03.0Yes
CHEMBL118929C18H18N2O4326.3524 / 22.0Yes
CHEMBL458722C26H38N2378.6042 / 06.3No
CHEMBL597222C17H14Cl2N2O3365.213 / 13.9Yes
CHEMBL243432C21H17BrN6O3481.315 / 42.3Yes
8-ethoxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}quinolineC22H25N3O4S427.5197 / 03.2Yes
BAS 00394663C21H25N3O335.4513 / 23.5Yes
SR-01000697372C21H17N3O2S375.4465 / 34.4Yes
CHEMBL411271C53H71N9O15S1106.2615 / 104.5No
MLS002244997C20H25N3O4371.4374 / 02.5Yes
CHEMBL501896C17H17ClF3N327.7754 / 2N/AN/A
SCHEMBL6925318C21H22N2O3S382.4784 / 12.8Yes
CHEMBL485192C25H29N3O2403.5264 / 15.4No
N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamideC19H19NO2293.3662 / 13.8Yes
SMR000118745C23H22N2O5S438.4986 / 14.2Yes
2,3-DibenzoyloxiraneC16H12O3252.2693 / 02.7Yes
N-[2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamideC25H25N3O2399.4944 / 14.2Yes
MLS000556811C25H34N2O3410.5583 / 15.8No
meso-dihydroguaiaretic acidC20H26O4330.4244 / 25.0Yes
CHEMBL30015C37H29N7O3619.6857 / 15.5No
MLS003123278C21H24N2O2336.4353 / 24.2Yes
SMR000149188C16H12FN3O2297.2894 / 02.0Yes
AC1OHM6KC20H24FN3O3S405.4886 / 12.1Yes
SMR000634331C26H30N4O5S510.6097 / 13.1No
CHEMBL284010C32H40F2N2O4554.6798 / 21.7No
Boc-GTC27H48N6O5536.7187 / 23.2No
CHEMBL3665377C28H29FN4O2472.5645 / 03.4Yes
2-(1H-indol-3-yl)-N-(3-(4-(4-methoxyphenyl)piperazin-1-yl)propyl)-2-oxoacetamideC24H28N4O3420.5135 / 23.2Yes
MLS002472171C26H24O3384.4753 / 04.9Yes
AC1NO0SCC26H25FN2O2S448.5564 / 05.4No
CHEMBL259178C16H15N5O2309.3296 / 21.9Yes
CHEMBL124914C14H18N2O2246.313 / 12.5Yes
CHEMBL444799C21H17F2N3O3S429.4429 / 14.4Yes
CHEMBL265879C83H105ClN18O161646.3118 / 163.7No
CHEMBL2113721C33H41BrN2O8S705.6619 / 26.3No
CHEMBL3759981C43H51N7O7777.9238 / 83.4No
CHEMBL288244C23H22Cl2FN3OS478.4075 / 14.8Yes
CHEMBL236661C31H40N4O3S548.7465 / 45.3No
MLS001071091C30H36N4O5532.6416 / 23.8No
1-(cyclohexylmethyl)pyrrolidineC11H21N167.2961 / 03.1Yes
CHEMBL2204978C24H28F3N5O3S523.57511 / 02.7No
AC1NKQUTC12H12N6O2S304.3288 / 20.9Yes
CHEMBL3658348C19H13F4N3O4S455.38411 / 22.9No
CHEMBL81376C24H23ClN2O390.9113 / 15.9No
SMR000201550C24H26N2O3S2454.6035 / 25.0Yes
CHEMBL1891651C25H24N2O4416.4775 / 14.8Yes
CHEMBL2165544C22H23F3N2O3S452.4927 / 04.9Yes
CHEMBL2151798C17H26N2O2290.4073 / 14.0Yes
CHEMBL253210C26H34FN7O479.6046 / 24.4Yes
methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetateC18H16ClNO4345.7794 / 03.2Yes
CHEMBL2312720C18H13N3O3319.324 / 12.9Yes
CHEMBL1271815C24H35N5O409.5785 / 14.1Yes
CHEMBL3410319C23H15F4N5O4501.39811 / 03.9No
SMR000042447C21H26ClN3355.913 / 1N/AN/A
CHEMBL542473C26H25BrCl3N5O4657.7715 / 3N/ANo
MLS000877392C21H18Cl2N2O3417.2865 / 14.1Yes
CHEMBL564022C29H29ClFN3O3522.0175 / 25.0No
CHEMBL218837C19H20ClN7O5461.8639 / 50.9Yes
CHEMBL522894C25H25FN4O2432.4996 / 03.8Yes
CHEMBL1088826C24H25NO3375.4683 / 14.9Yes
MLS003121256C25H35N5O421.5894 / 15.0Yes
4-methoxy-N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]benzamideC22H21NO4S395.4734 / 04.8Yes
CHEMBL3911884C15H21ClN2O3312.7944 / 22.3Yes
SCHEMBL15790159C15H21ClN2O3312.7944 / 22.3Yes
CHEMBL3911641C15H21ClN2O3312.7944 / 22.3Yes
MLS003315745C31H32N6O504.6386 / 05.9No
MLS000071942C27H31N7O469.5936 / 13.7Yes
CHEMBL366216C19H25N7351.4586 / 34.2Yes
CHEMBL3113843C25H31N5O4S497.6147 / 03.2Yes
CHEMBL366819C22H37NO2347.5433 / 05.4No
2-chloro-N-(2-methylphenyl)-5-(phenylsulfonyl)benzamideC20H16ClNO3S385.8623 / 14.5Yes
CHEMBL244766C32H42N4O5S594.7717 / 63.6No
MLS002161239C19H17NO5339.3475 / 13.3Yes
CHEMBL199119C38H43N3O4S637.8395 / 16.1No
AC1MGC9JC14H14FN3O2S307.3435 / 3N/AN/A
SensoradC25H30N2358.5292 / 25.5No
SMR000013176C19H25ClN2O332.8723 / 2N/AN/A
CHEMBL249797C24H28N4O2S436.5746 / 23.9Yes
MLS001071238C19H19N5O3365.3936 / 13.2Yes
CHEMBL1474245C24H22ClN3O3S467.9684 / 15.5No
CHEMBL498038C21H14N3O7S-452.41710 / 42.3Yes
BDBM50349294C22H19Cl2FN4O3477.3174 / 23.1Yes
2-[(4-ethylanilino)methyl]-4(3H)-quinazolinoneC17H17N3O279.3433 / 23.2Yes
CHEMBL3126597C26H35N5O5497.5969 / 33.2Yes
SCHEMBL433646C27H21F4N5O2523.4928 / 13.0No
CHEMBL59310C26H29NO2387.5232 / 15.1No
3-chloro-6-(4-((2-methoxyethyl)sulfonyl)piperazin-1-yl)-2,2'-bipyridineC17H21ClN4O3S396.897 / 01.5Yes
SMR000119281C25H28N2O3404.513 / 14.1Yes
CHEMBL1923624C29H37FN4O4524.6376 / 33.3No
24090-38-8C11H10O3S222.2584 / 12.2Yes
CID 16147801C91H140N30O211990.3126 / 33-3.7No
AC1M6MI8C16H21N3O2S319.4234 / 22.0Yes
CHEMBL1762420C18H28N4O4364.4465 / 11.2Yes
CHEMBL454916C28H38Cl2N4O3549.5375 / 24.8No
CHEMBL385105C75H100N18O181541.7319 / 19-1.7No
CHEMBL11590C24H31Br2NO5573.3226 / 2N/ANo
CHEMBL3401612C21H21Cl2N3O402.3192 / 15.5No
3,4-dimethoxy-N-quinolin-2-ylbenzamideC18H16N2O3308.3374 / 13.3Yes
AC1MQM13C11H13F3N4O2290.2467 / 11.2Yes
CHEMBL117504C29H34F3N3O3529.6047 / 15.4No
CHEMBL519280C23H21Cl3N4O475.7984 / 07.3No
CHEMBL80370C26H31KN4O5S2582.7757 / 2N/ANo
CHEMBL488241C16H19NO241.3342 / 13.5Yes
AC1NWUEHC13H17Cl2N3OS334.2593 / 23.7Yes
CHEMBL109736C26H32N2O5452.5516 / 11.0Yes
CHEMBL1089629C29H32F6N4O3598.5910 / 24.8No
CHEMBL475910C29H26BrNO484.4371 / 17.3No
4-chlorophenyl 6-(methoxymethyl)-2-methyl-4-pyrimidinyl sulfoxideC13H13ClN2O2S296.7695 / 02.0Yes
CID 44588336C152H233N41O443338.7849 / 49-13.7No
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamideC18H16N2O2S324.3984 / 13.9Yes
CHEMBL441393C52H87N15O15S1194.4219 / 17-7.6No
CHEMBL3731454C13H9N3O3S287.2936 / 12.9Yes
NCGC00012408C21H25N5347.4665 / 03.9Yes
CHEMBL1788128C25H30ClFN4S473.0514 / 14.2Yes
MLS000538206C28H35IN2O5606.5016 / 1N/ANo
CHEMBL3727384C27H26Cl2FN7O4S634.5088 / 34.7No
CHEMBL2205078C26H33N2+373.5640 / 05.2No
CHEMBL1921958C15H15N3O3S317.3635 / 11.3Yes
AC1M6BPFC15H12O5272.2565 / 02.7Yes
AC1MH3L2C18H18ClFN2O2S380.8625 / 13.8Yes
SMR000628313C24H29N3O4S455.5736 / 02.9Yes
CHEMBL1077716C19H25N3O3S375.4874 / 33.8Yes
CHEMBL418124C38H42ClN5O8732.2318 / 44.9No
SMR000010405C17H14ClN3O3S375.8276 / 13.8Yes
CHEMBL1801072C25H24FN5O4477.4967 / 23.7Yes
3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amineC19H14ClFN4352.7974 / 14.4Yes
2-(4-pyridinyl)-N'-(3-thienylmethylene)-4-quinolinecarbohydrazideC20H14N4OS358.4195 / 13.4Yes
AC1MHBGGC20H14F3N5381.3626 / 03.9Yes
SCHEMBL17056279C16H16Cl3NO344.662 / 14.9Yes
methyl 4-((2-(4-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoateC27H26FNO6479.5047 / 04.5Yes
CHEMBL3949898C27H39N7O2493.6565 / 42.3Yes
2-(9h-carbazol-9-yl)benzoic acidC19H13NO2287.3182 / 14.5Yes
CHEMBL2165330C24H22BrClN6O6S637.8912 / 24.1No
CHEMBL441675C30H36ClN5O2S566.1616 / 34.1No
CHEMBL3731621C19H14N4O2S2394.4677 / 04.7Yes
CHEMBL3977624C31H38ClN5O2S580.1886 / 37.0No
2-methyl-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamideC23H25N3O359.4733 / 15.1No
CHEMBL3793112C18H20ClNO2317.8133 / 03.7Yes
CHEMBL1435125C22H26N2O334.4631 / 14.6Yes
SCHEMBL1673234C22H22FN5O2407.4497 / 03.4Yes
MLS000678373C21H16N4O4S420.4438 / 12.2Yes
CHEMBL1554375C18H17F3N2O3S398.47 / 12.7Yes
MLS003122381C20H17FN2OS352.4274 / 14.2Yes
CHEMBL1669412C19H21N3291.3983 / 02.1Yes
CHEMBL542298C26H40ClNO2434.0613 / 1N/AN/A
CHEMBL3891887C31H34FNO4503.6145 / 16.0No
MLS000537437C25H19BrF3N3O2S562.4058 / 15.9No
CHEMBL1783908C16H27N3O3309.416 / 01.4Yes
CHEMBL1688486C24H24O3360.4533 / 15.5No
SCHEMBL16944797C23H29N5O391.5196 / 04.7Yes
CHEMBL425069C27H28ClN5O3506.0036 / 14.3No
CHEMBL265906C60H81N11O161212.3717 / 13-1.1No
MLS003121152C30H33N5O3511.6265 / 25.3No
MLS001204121C20H18N6O3S422.4637 / 32.0Yes
MLS003118000C20H22N2O3S370.4675 / 13.3Yes
CHEMBL595015C22H28N4O364.4934 / 04.8Yes
CHEMBL402699C52H76N12O161125.2517 / 15-4.1No
CHEMBL117751C44H65N11O7860.07410 / 10-0.6No
CHEMBL337023C24H33NO4399.5315 / 14.6Yes
CHEMBL302029C35H39FN4O5614.7188 / 04.8No
MLS000733663C22H17ClN4O388.8553 / 13.6Yes
SMR000001967C20H21N3O3S383.4666 / 13.9Yes
SCHEMBL4536467C23H24N2O3376.4564 / 03.4Yes
SCHEMBL4534799C23H24N2O3376.4564 / 03.4Yes
CHEMBL3112601C23H24N2O3376.4564 / 03.4Yes
CHEMBL3977305C27H31NO4433.5485 / 23.8Yes
SCHEMBL878409C27H31NO4433.5485 / 23.8Yes
CHEMBL513423C22H26ClFN2O2404.915 / 23.1Yes
CHEMBL466102C20H12ClF3NNaO3429.7557 / 0N/AN/A
CHEMBL239620C14H9Cl2N3290.1473 / 04.1Yes
CHEMBL3311132C44H58ClN5O8820.4258 / 67.2No
CHEMBL3686004C23H23BrFN3O3488.3575 / 24.6Yes
MLS000678714C17H18BrNO4380.2384 / 03.7Yes
CHEMBL3716930C26H25N5O6503.5159 / 03.2No
CHEMBL1336578C18H14F3N3O2S2425.4449 / 14.6Yes
1-(3-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-oneC20H14N2O5362.3415 / 14.1Yes
CHEMBL241684C23H21N7O2427.4686 / 13.4Yes
CHEMBL3236565C14H23N5O277.3726 / 30.8Yes
SCHEMBL17557589C28H28Cl2N4O3S571.5177 / 25.6No
CHEMBL438422C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413304C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428315C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384274C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409406C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411977C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385507C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410402C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216901C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414911C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386194C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415827C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407601C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384088C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217596C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262941C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439278C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409993C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266426C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411422C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385149C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439058C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276698C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406617C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL441748C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL444093C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411281C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439070C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411622C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408250C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL383867C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415443C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263928C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406623C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405236C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL403499C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL425455C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266075C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264585C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427648C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265852C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264328C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415793C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413622C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438754C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264557C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414127C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408503C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386130C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL424913C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217161C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407657C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385148C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217432C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL426159C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384394C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384314C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438466C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL269312C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405064C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407872C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409778C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414529C63H98N18O13S1347.6517 / 15-2.3No
Substance PC63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264713C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410796C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267139C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412919C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413406C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410018C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL444112C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216569C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262964C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405306C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404964C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262682C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410227C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406689C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276697C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267672C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415529C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265618C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415013C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405514C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL383886C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217325C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407871C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415442C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL402885C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436736C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438091C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405950C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262846C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262688C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415147C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL430253C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266517C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115535C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438015C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415634C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406616C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115531C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276041C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386680C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429612C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438949C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384716C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL383889C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411014C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428122C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266604C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437638C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415346C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384628C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268791C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409293C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384107C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL269284C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412182C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414909C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268424C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411061C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406876C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438907C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412920C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437088C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412207C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410385C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407735C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268374C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410361C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276038C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408051C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217484C63H98N18O13S1347.6517 / 15-2.3No
Substance P, phe(7)-C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265889C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412775C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384071C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386687C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405775C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386762C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216902C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412701C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414594C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266744C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436677C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428620C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411060C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265848C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437047C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410378C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412800C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL273226C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL261995C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406564C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427756C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268794C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415396C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404591C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415854C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413701C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409763C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406147C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412369C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438455C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414296C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL440579C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414059C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411208C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407259C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386536C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405412C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268188C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406563C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404830C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262847C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263331C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412870C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386026C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262973C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265278C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407759C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384582C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410379C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406622C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409166C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266440C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265634C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405777C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411563C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415395C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436885C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385700C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266206C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217381C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408521C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263673C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410370C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL275077C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384276C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL440807C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384853C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405115C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL402253C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412545C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412038C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406615C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412048C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411207C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412181C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386195C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216725C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414910C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427597C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410543C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265542C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413623C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276696C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437223C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406579C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407478C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413664C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115534C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL383852C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268396C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264917C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407189C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429526C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265279C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385567C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267512C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL446461C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217483C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405780C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408317C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415404C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410951C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115547C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412502C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437335C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266441C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL441923C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438051C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415242C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437862C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405116C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439474C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386129C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415125C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410369C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265280C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411978C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217383C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL444115C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414141C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408011C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115533C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262757C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384583C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436843C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405911C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385970C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413083C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266743C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405257C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415618C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409764C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406164C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384357C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262029C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386273C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412483C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410569C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407758C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438419C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL440425C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264649C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415146C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408748C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412240C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL441921C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268646C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413129C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408927C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263309C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427788C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407500C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL402251C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410017C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404961C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267381C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262752C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407261C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410544C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413166C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412503C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438770C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409592C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407477C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217162C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266425C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216583C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436733C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265730C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263549C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414480C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437639C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385763C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413693C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266274C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415211C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404965C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264711C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412401C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385470C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437652C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405675C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL217431C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263674C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407624C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL440252C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429039C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414276C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427620C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406350C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412700C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414370C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267511C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415454C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414905C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216936C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428136C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386568C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415347C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409575C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415403C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438087C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263414C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405932C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408010C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410371C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406841C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428473C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410882C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410990C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414788C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415363C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410228C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438886C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414058C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL552880C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439524C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413159C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437904C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405256C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386775C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409965C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410989C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409799C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405779C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386558C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL440256C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276040C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407190C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438272C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411734C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410546C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415587C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413909C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216421C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL441379C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405776C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265988C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264366C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436868C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436689C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415348C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL436960C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406162C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216074C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438646C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268186C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413663C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413837C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414695C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386688C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264463C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264285C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437665C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264329C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414787C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384110C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL269608C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216969C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266428C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415856C63H98N18O13S1347.6517 / 15-2.3No
sub-stance pC63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408050C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408505C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439715C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385378C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429160C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262571C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409609C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL275075C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410173C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409198C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386477C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409995C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115537C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL426696C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL441182C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268793C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405472C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414906C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267065C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408303C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264251C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263221C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409362C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL442808C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409770C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413691C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405949C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115536C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413130C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385380C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404831C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409199C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412047C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL427577C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406840C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406073C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264838C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266275C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262473C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL268591C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262283C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439708C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265890C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267829C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410612C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384286C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL409994C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415031C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412402C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265352C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412040C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412619C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410180C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL407260C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386567C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439365C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414277C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438193C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265902C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263307C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL405436C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429528C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL267970C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL425266C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411446C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL414499C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415163C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265647C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428308C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL2115532C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386340C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412164C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL428811C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL437462C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL276293C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL383853C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL265310C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415853C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386193C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264584C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415012C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411777C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384359C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408749C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410199C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262239C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL411573C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413236C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385702C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438933C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL408009C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL264775C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL269607C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL263330C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL384275C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412501C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL266427C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL216788C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL385726C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL386696C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL410545C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL406370C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL412334C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL439438C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL429348C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL269285C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL262834C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL218508C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL404832C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL438084C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413695C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL415148C63H98N18O13S1347.6517 / 15-2.3No
CHEMBL413248C63H98N18O13S1347.6517 / 15-2.3No
DORA-22C23H22F2N4O2424.4527 / 03.6Yes
898460-45-2C24H32N4O2S440.6064 / 03.3Yes
1-[(4-methoxyphenyl)methyl]benzotriazoleC14H13N3O239.2783 / 02.8Yes
MLS001165048C26H34N2O7486.5658 / 11.5Yes
AC1N8RBEC19H21N5O5S2463.5279 / 11.7Yes
CHEMBL282680C19H18N2O2306.3653 / 12.6Yes
CHEMBL287819C33H30N6OS558.7047 / 07.3No
AC1LLL4QC15H18ClN5O4367.799 / 23.4Yes
2-[Benzenesulfonyl-(4-fluoro-phenyl)-amino]-N-furan-2-ylmethyl-acetamideC19H17FN2O4S388.4136 / 12.7Yes
CHEMBL446459C14H19F2N3O283.3234 / 22.6Yes
AC1ONZ4SC22H20N2O3S392.4734 / 14.2Yes
892757-79-8C19H17N3O3S367.4237 / 04.0Yes
CHEMBL368783C20H22N2O306.4092 / 14.1Yes
Ac-RYYKWR-NH2C49H69N15O91012.1912 / 15-1.3No
CHEMBL2181190C22H25FN2O352.4534 / 05.5No
SMR000130086C23H30N4O5S474.5767 / 11.2Yes
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzeneC16H17ClO3292.7593 / 04.5Yes
CHEMBL540049C16H28ClN2O4P378.8346 / 2N/AN/A
CHEMBL3325646C31H36N6O3540.6685 / 23.5No
CHEMBL418308C35H32N4O3S2620.7868 / 36.0No
MLS000833680C9H6BrN3O5316.0676 / 12.2Yes
SMR000124404C20H24N4O6S2480.55410 / 01.9Yes
CHEMBL224615C17H14N4OS322.3865 / 03.2Yes
CHEMBL94438C30H26F2N4O4544.5599 / 22.1No
MLS000727725C24H26ClN3391.9432 / 1N/AN/A
CHEMBL236457C35H67N11O8769.9910 / 11-0.3No
MLS001128837C21H24Cl3N3O3S504.8515 / 04.1No
CHEMBL3716002C24H25FN2O5S472.5317 / 03.5Yes
BDBM50070217C15H17BrN4O3381.235 / 21.9Yes
MLS000948115C22H24N4OS392.5215 / 14.6Yes
CHEMBL3945795C15H25NO235.3712 / 02.6Yes
CHEMBL3219269C34H30F2N4O2564.6376 / 16.2No
SMR000172878C30H31N3O3S513.6564 / 25.3No
SMR000067473C12H17N5O5311.2988 / 0-0.5Yes
SCHEMBL931468C23H26N4O2390.4875 / 03.1Yes
CHEMBL3609619C32H30F6N4O5664.60512 / 54.5No
CHEMBL95508C22H21ClN2O5428.8695 / 13.9Yes
MLS000045058C18H18F3N3O4S429.4149 / 12.5Yes
CHEMBL3785142C14H17NO3S279.3544 / 11.8Yes
8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-oneC25H22FN3O3431.4676 / 03.9Yes
CHEMBL290612C25H30N2O3406.5265 / 04.4Yes
7-bromo-5-(4-fluorophenyl)-4-(2-oxo-2H-chromene-3-carbonyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-oneC25H16BrFN2O4507.3155 / 14.5No
CHEMBL412753C55H78N12O17S21243.4221 / 18-5.7No
CHEMBL2337496C12H13ClN2O236.6992 / 21.4Yes
MLS000735645C24H26FNO3395.4745 / 13.6Yes
CHEMBL540799C24H25ClFNO3429.9165 / 1N/AN/A
CHEMBL122105C30H34N2O438.6152 / 17.1No
CID 44370594C14H21N3O6327.3377 / 4N/AN/A
CHEMBL367705C13H13N5O255.2814 / 20.7Yes
CHEMBL1950564C26H24FN3O2S461.5557 / 22.6Yes
AC1MG75BC19H19ClN2O5S422.885 / 12.8Yes
CHEMBL3613138C18H13N5O2S363.3957 / 14.0Yes
CHEMBL3219001C34H31ClN4O2563.0984 / 16.7No
CHEMBL415223C37H44N2O2548.7713 / 28.1No
MLS000882857C24H24Cl2N2O3459.3673 / 14.3Yes
CHEMBL1938927C26H24FN3O2S461.5557 / 12.6Yes
CID 45273296C22H19ClF4N2O438.8517 / 25.9No
CHEMBL143029C29H31ClN2O2475.0294 / 15.6No
CHEMBL1437935C24H23N7OS457.5566 / 14.0Yes
SMR000151229C26H32N4O2432.5682 / 24.0Yes
CHEMBL317532C26H28FNO4437.5116 / 14.9Yes
CHEMBL553066C17H23ClN2O3338.8324 / 3N/AN/A
AC1MR85VC25H35N3O5S2521.6918 / 14.6No
AC1OSKCMC20H23N3OS353.4844 / 14.5Yes
CHEMBL208247C26H26F2N4O3480.5168 / 13.6Yes
AC1LQJ8GC19H22F3N5O2S441.4739 / 12.5Yes
CHEMBL362536C19H23ClN4O2S406.9295 / 33.0Yes
MLS000673026C19H19NO2293.3662 / 03.7Yes
CHEMBL2057611C13H16N2O2232.2833 / 22.8Yes
ZINC03258950C16H19ClN2O2306.792 / 13.4Yes
RWJ-68354C19H15FN4O334.3545 / 23.3Yes
CHEMBL366708C37H48ClN5O3646.2736 / 35.4No
MLS000530432C19H21ClN2O4S2440.9576 / 13.1Yes
CHEMBL416651C29H31ClN6O3547.0566 / 43.6No
CHEMBL50283C29H31ClN6O3547.0566 / 43.6No
CHEMBL215974C25H30Cl2F3N3O516.436 / 16.0No
CHEMBL294134C31H42N6O8626.7119 / 8-2.2No
MLS001123114C21H20ClNO3S401.9054 / 13.9Yes
MLS001160708C25H24N4O4S2508.6119 / 03.9No
CHEMBL3588870C33H33F7N2O3638.62711 / 16.6No
AC1NC5YEC17H25ClN2O5S404.9066 / 12.4Yes
CHEMBL168764C13H14IN3339.183 / 03.7Yes
CHEMBL464916C21H27N3O337.4673 / 24.8Yes
CHEMBL237926C27H37N7O4523.6388 / 32.0No
CHEMBL3114514C21H16FN3O345.3773 / 24.3Yes
CHEMBL3763534C22H27ClN2O370.9212 / 1N/AN/A
CHEMBL303116C30H32N4O3496.6113 / 34.3Yes
CHEMBL3605035C20H14Cl2O3373.2293 / 25.8No
CHEMBL356213C21H39NO2337.5482 / 26.1No
CHEMBL352931C21H39NO2337.5482 / 26.1No
CHEMBL361311C25H24N2O4S448.5375 / 24.4Yes
ASN 06369937C24H30FN3O5459.5186 / 23.3Yes
MLS001095681C20H18N2O4S382.4346 / 12.8Yes
CHEMBL236787C28H28FN5453.5654 / 25.7No
CHEMBL3400190C24H32N2O3396.5313 / 25.1No
UNII-10521U3EQAC23H31NO3S401.5654 / 04.2Yes
850781-34-9C18H17FN4O3S388.4176 / 11.9Yes
CHEMBL1891980C21H27N5O3397.4796 / 12.7Yes
CHEMBL1929538C21H29NO6S423.5247 / 21.7Yes
MLS003589962C16H19ClN2O2306.793 / 23.5Yes
ASN 09859267C18H13ClN4O2352.7784 / 22.4Yes
CHEMBL2071539C20H22N4O4S414.486 / 33.0Yes
69338-35-8C8H13NO3171.1963 / 1-0.4Yes
CHEMBL352378C19H27ClN4O2378.9016 / 04.7Yes
N-(4-bromo-2-methylphenyl)oxolane-2-carboxamideC12H14BrNO2284.1532 / 12.4Yes
CHEMBL1338308C22H20FN5OS421.4946 / 13.7Yes
SMR000104366C18H22N2O5S378.4436 / 12.3Yes
AC1MD0KBC13H13N3OS259.3274 / 12.2Yes
CHEMBL1255085C23H25NO5395.4556 / 33.9Yes
[4-(4-chlorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-nitrophenyl)methanoneC18H17ClN2O3344.7954 / 03.6Yes
CHEMBL371328C26H26N2O2398.5063 / 15.1No
AC1O3UNVC21H20N2O2S364.4633 / 15.4No
BAS 00314132C20H20N6O360.4217 / 24.9Yes
1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)ureaC14H12ClFN2O278.7112 / 24.5Yes
CHEMBL3115074C23H28N2O4396.4875 / 21.3Yes
SCHEMBL539819C50H47Cl2N3O7872.849 / 28.1No
N'-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-4-chloro-1-methyl-1H-pyrazole-3-carbohydrazideC18H17BrClN5O434.7223 / 14.0Yes
MLS001150042C16H12BrNO5S410.2385 / 02.7Yes
CHEMBL3098244C23H27F3N6O4S540.56213 / 42.1No
CHEMBL3098242C23H27F3N6O4S540.56213 / 42.1No
CHEMBL381452C30H36N4O468.6453 / 37.4No
CHEMBL376920C19H15N3285.353 / 14.4Yes
CHEMBL3417505C20H27N3O2341.4554 / 12.8Yes
CHEMBL1773104C30H29N5O5S571.6528 / 14.1No
Strychnine, Nb-oxideC21H22N2O3350.4183 / 01.4Yes
GenostrychnineC21H22N2O3350.4183 / 01.4Yes
CHEMBL511558C25H14Cl3N3O478.7573 / 16.8No
MLS000519989C16H16BrNO5S2446.336 / 13.2Yes
MLS003183422C22H16ClF3N2400.8294 / 07.3No
N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amineC23H24N4O372.4724 / 16.2No
CHEMBL1476019C20H17N3O4363.3735 / 13.0Yes
SMR000193353C21H18N2O2S362.4474 / 04.3Yes
BDBM118149C36H31Cl2N3O3624.5624 / 17.9No
CHEMBL14538C21H24FN3O2369.446 / 13.8Yes
CHEMBL2163572C29H38N4O3490.6486 / 14.2Yes
AC1LXTEDC19H11NO4S2381.426 / 13.8Yes
SMR000249534C32H32N8O2560.6627 / 1N/ANo
MLS001006036C19H16N2O3S352.4084 / 13.1Yes
CHEMBL206039C16H17N3S283.3934 / 14.8Yes
CHEMBL488529C30H32FN3O3501.6025 / 14.3No
CHEMBL216050C26H29N3O399.5383 / 04.2Yes
CHEMBL291602C29H35N7O7593.6417 / 7-0.8No
MLS000834729C21H34N4O4406.5275 / 23.4Yes
ethyl {(5E)-5-[(5-methylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetateC13H13NO5S295.3096 / 02.2Yes
CHEMBL437216C29H35N3O441.6193 / 05.7No
SMR000079608C18H19ClN2O6S426.8687 / 23.0Yes
CHEMBL1939595C20H25N3O2339.4393 / 04.4Yes
CHEMBL2336550C23H26N2O2S394.5334 / 04.5Yes
CHEMBL538281C28H26BrCl2N5O5S695.417 / 25.7No
PROPYLBENZILYLCHOLINE MUSTARDC21H26ClNO3375.8934 / 14.2Yes
CHEMBL131242C33H42N8O4614.75110 / 53.7No
AC1LACWJC21H25NO2323.4363 / 04.3Yes
CHEMBL539091C26H33ClN2O4S505.076 / 3N/ANo
PrenalterolC12H19NO3225.2884 / 31.4Yes
CHEMBL571517C37H54O3546.8363 / 110.0No
CHEMBL3915468C27H27ClF3N3O3533.9767 / 24.9No
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamideC20H22N4O2350.4224 / 12.1Yes
Pyrimidin-4-ylacetamide, 6C22H29N7O2423.5217 / 12.2Yes
MLS000758486C20H14O4318.3284 / 23.9Yes
SMR000219845C25H18ClN5O4S519.967 / 15.2No
CHEMBL100162C26H26N2OS2446.6274 / 16.2No
CHEMBL607881C15H20IN5O4461.268 / 41.6Yes
CHEMBL1794795C21H28N2O6404.4637 / 2N/AN/A
2-(4-isopropylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamideC18H18F3NO3353.3416 / 15.0Yes
MLS001159402C21H25FN2O5S436.4987 / 02.4Yes
ALX-1393C23H22FNO4395.436 / 21.2Yes
CHEMBL3353895C23H29N5O391.5195 / 04.0Yes
AC1NHAAXC19H23NO2297.3982 / 14.5Yes
7000-61-5C15H15N5O4329.3166 / 30.7Yes
CHEMBL3818805C24H27ClN4O422.9572 / 24.8Yes
KUC103867NC14H11NO2S257.3073 / 03.0Yes
AC1OBT9DC17H19N3OS313.4193 / 23.5Yes
SMR000163226C22H16ClN3357.8412 / 05.8No
phenacyl piperidine-1-carbodithioateC14H17NOS2279.4163 / 03.5Yes
CHEMBL1317902C19H17N3O4S383.4227 / 13.0Yes
CHEMBL2429880C24H30ClN3O3443.9724 / 2N/AN/A
SMR000177440C22H26Cl2N4O2449.3763 / 25.4No
CHEMBL400148C26H24F7NO2515.47210 / 06.2No
CHEMBL1315287C25H23ClN4O3462.9345 / 14.8Yes
L-Cysteinesulfinic acidC3H7NO4S153.1526 / 3-4.2Yes
AC1N0YGAC3H7NO4S153.1525 / 2-4.7Yes
D-Alanine, 3-sulfino-C3H7NO4S153.1526 / 3-4.2Yes
N-benzyl-4-bromo-3-ethoxybenzenesulfonamideC15H16BrNO3S370.2614 / 13.4Yes
CHEMBL175586C19H20F3NO2S383.4296 / 04.2Yes
N-[2-(4-chlorophenyl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]succinamideC27H32ClN5O2494.0365 / 23.8Yes
CHEMBL520100C19H24ClN3O2361.874 / 04.0Yes
AC1LCKZJC21H26N6O378.485 / 13.4Yes
CHEMBL3597629C36H37ClFNO5618.1426 / 28.1No
CHEMBL557188C60H72F6N10O91191.2916 / 107.4No
CHEMBL3361419C24H34N6O3454.5756 / 41.7Yes
MLS001177120C22H27N3O6S461.5339 / 11.6Yes
CID 54587035C20H25N9O7S2567.59612 / 4N/ANo
CHEMBL3941102C28H31F3N4O2512.5778 / 13.9No
AC1NCLBGC19H18N2O4S370.4235 / 22.7Yes
CHEMBL600482C22H14F2N2O3392.3627 / 14.3Yes
AC1LQT3KC18H15ClN4S354.8564 / 05.5No
AC1MVWSFC19H15F3N6O6480.3612 / 25.2No
CHEMBL377340C18H19N3O293.373 / 14.1Yes
AC1NDJ6IC24H19ClN2OS418.9393 / 16.5No
CHEMBL72953C14H15F2N5291.3066 / 13.7Yes
CHEMBL3669096C23H22FN5O2419.468 / 15.0Yes
CHEMBL201847C26H28N4O4460.5344 / 13.5Yes
MLS000556734C31H33N7O3551.6516 / 25.5No
CHEMBL42653C31H32ClN3O4546.0644 / 24.5No
AC1MQN6IC18H22N4O6S2454.5168 / 4-0.1Yes
2-{3-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dioneC22H21Cl2N3O3446.3284 / 02.9Yes
AC1NVXS1C14H12ClN3O3305.7185 / 12.8Yes
CHEMBL92896C21H24ClFN2O374.8844 / 13.5Yes
MLS003116843C30H33N5O3511.6265 / 13.9No
AC1NKK02C25H28ClN5O2S498.0426 / 14.2Yes
CHEMBL471514C24H24ClF3N4O2492.9277 / 14.5Yes
SCHEMBL1532866C18H23N3O2313.4014 / 22.6Yes
AC1NY53VC18H15N3O3321.3363 / 13.3Yes
CHEMBL2030757C23H23Cl3N4O3S541.8725 / 15.3No
CHEMBL26790C33H36Cl2N4O2591.5773 / 16.1No
AC1OC89KC12H9Cl2N3OS314.1843 / 23.5Yes
TASOSARTANC23H21N7O411.4696 / 13.0Yes
CHEMBL318956C21H22N2O2334.4193 / 13.5Yes
CHEMBL398905C23H34O2342.5232 / 16.6No
SCHEMBL4154525C17H16F3NOS339.3766 / 15.8No
117690-47-8C17H24O3276.3763 / 15.2No
MLS001172692C22H23N3O2361.4454 / 13.2Yes
CHEMBL3092630C22H19F3N4O3444.4148 / 23.9Yes
CHEMBL2017692C38H34N6O2606.734 / 15.8No
AC1OBXRCC16H16BrNO3350.2124 / 04.1Yes
Oprea1_600257C18H20N4O3S2404.5038 / 13.9Yes
CHEMBL354049C33H40N4O5572.7066 / 54.8No
CHEMBL83942C33H40N4O5576.7226 / 54.8No
6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrileC16H14BrFN4O377.2176 / 24.1Yes
CHEMBL2346767C23H24N2O2360.4572 / 24.7Yes
AC1M63SYC13H10ClNO2S279.7383 / 02.7Yes
SCHEMBL2683422C28H37N3O3463.6224 / 22.7Yes
SMR000006848C18H20N4O308.3854 / 23.3Yes
SMR000041576C11H15NO3209.2454 / 12.3Yes
SMR000172981C31H31FN4O4S574.6718 / 26.2No
CHEMBL3715726C28H23ClN4O5S2595.08510 / 06.1No
Lopac-D-2763C34H41N5O8S679.7899 / 4N/ANo
MLS000859925C34H41N5O8S679.7899 / 4N/ANo
Dihydroergotamine mesylateC34H41N5O8S679.7899 / 4N/ANo
Dihydroergotamine mesylateC34H41N5O8S679.7899 / 4N/ANo
CHEMBL93859C34H45N7O5631.7786 / 53.2No
MLS002169188C24H26N2O7S486.5398 / 13.3Yes
SCHEMBL3033160C26H36N6O448.6156 / 23.6Yes
CHEMBL98665C43H47FN4O6S766.9298 / 18.9No
SCHEMBL16483386C19H23FN2O2330.4035 / 14.2Yes
CHEMBL158557C33H29NO7551.5957 / 25.1No
MLS002164458C21H24F2N2O4S438.497 / 02.9Yes
CHEMBL124642C23H31N3O365.5213 / 03.5Yes
(5-Phenylethynyl-furan-2-yl)-(4-pyridin-2-yl-piperazin-1-yl)-methanoneC22H19N3O2357.4134 / 03.7Yes
CHEMBL2442997C28H34N4O3474.6056 / 13.0Yes
CHEMBL3933958C26H36N8O2S524.6885 / 40.8No
CHEMBL3897010C26H36N8O2S524.6885 / 40.8No
CHEMBL417645C29H29F3N4O3538.5718 / 04.1No
MLS000766439C31H34N2O4498.6235 / 14.2Yes
CHEMBL238385C10H14N2O3210.2335 / 21.0Yes
MLS-0390943.0001C13H15N3S245.3444 / 03.6Yes
1-(2,4-dichlorophenyl)-3-pyrazin-2-ylureaC11H8Cl2N4O283.1123 / 21.9Yes
SMR000471039C33H29BrFN3O4630.5145 / 05.6No
SMR000000804C21H27N3O3369.4654 / 13.7Yes
SMR000201450C23H23N3O3S2453.5756 / 24.5Yes
CHEMBL605141C29H30N4O450.5863 / 04.9Yes
CHEMBL3183290C24H29N5O3S467.5887 / 13.9Yes
SMR000127622C22H26N2O334.4632 / 14.9Yes
MLS001210202C17H12N4O5352.3067 / 23.6Yes
CHEMBL1552585C23H25NO3S2427.5774 / 15.0Yes
CHEMBL1084895C24H25F3N4O2458.4857 / 14.1Yes
CHEMBL322194C39H48N4O6668.8358 / 05.4No
MLS002243256C22H25N3O4395.4594 / 13.8Yes
MLS001078828C24H23BrN2O3S499.4234 / 04.6Yes
CHEMBL1317151C26H25N3O4443.5036 / 25.2No
CHEMBL3287059C34H48N12O5704.8377 / 10-1.3No
CHEMBL3287061C34H48N12O5704.8377 / 10-1.3No
CHEMBL3901430C27H31N5O4S521.6369 / 13.8No
ethyl 4-[(2-hydroxy-3-phenoxypropyl)amino]benzoateC18H21NO4315.3695 / 23.2Yes
AC1NJX3JC20H19N3O5381.3885 / 22.2Yes
MLS000948142C25H18N2O7S490.4869 / 24.5Yes
AC1LVDP6C25H18N2O7S490.4869 / 24.5Yes
CHEMBL475389C25H38N2O6S494.6478 / 52.5Yes
ethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylateC24H24N2O3388.4675 / 04.4Yes
SMR000196863C13H9ClN2O3S2340.7967 / 03.9Yes
SCHEMBL215462C26H30N2O5S482.5957 / 15.3No
CHEMBL240249C26H28N4O3444.5355 / 13.7Yes
896286-73-0C20H25N3O4S2435.5576 / 22.6Yes
CHEMBL1328077C24H25N3O2S419.5433 / 13.8Yes
MLS001141066C16H18N2O4S334.395 / 11.4Yes
N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)-4-methylbenzamideC18H22N4O4358.3984 / 2-0.2Yes
CHEMBL263058C23H28IN3O6569.3968 / 3N/ANo
CHEMBL229698C24H26ClN3O407.9422 / 16.1No
4-({4-[(4-benzyl-1-piperidinyl)carbonothioyl]phenoxy}acetyl)morpholineC25H30N2O3S438.5864 / 03.8Yes
CHEMBL417069C26H25NO4415.4895 / 16.0No
MLS001212230C14H12N4O252.2774 / 13.1Yes
CHEMBL523249C20H32N2O316.4893 / 14.0Yes
CHEMBL13120C24H24FN3373.4753 / 15.0Yes
CHEMBL47868C29H29NO10551.54811 / 21.7No
CHEMBL298664C29H29NO10551.54811 / 21.7No
isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinateC19H22ClN3O2359.8545 / 04.2Yes
MLS003130160C26H34N2O5S486.6276 / 13.4Yes
MLS000735801C24H26N2O3390.4834 / 14.1Yes
2,4,6-TrichloronitrobenzeneC6H2Cl3NO2226.4372 / 03.6Yes
MLS003590951C23H26ClFN6O2472.9498 / 03.8Yes
CHEMBL94784C17H23ClN4O4S414.9057 / 21.9Yes
3-[4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzoic acidC19H12N2O4S364.3757 / 24.0Yes
CHEMBL3752041C17H18N2250.3451 / 23.3Yes
SMR000635310C27H28N6O5S548.6189 / 12.8No
CHEMBL393083C8H10N2O2S198.244 / 21.0Yes
CHEMBL212976C37H43N5O3605.7834 / 35.0No
CHEMBL157989C34H59N2O5+575.8555 / 09.9No
CHEMBL290840C34H59N2O5+575.8555 / 09.9No
CHEMBL160994C34H59N2O5+575.8555 / 09.9No
N-(2,5-dimethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamideC19H19NO4325.3644 / 13.4Yes
CHEMBL3112980C23H18Cl2N4O4S517.3818 / 05.7No
MLS002244780C22H23N5O7469.4547 / 2N/AN/A
AC1LGJ3MC18H14N6S346.4127 / 22.5Yes
US8802673, 145C16H16F4N4O2372.32410 / 22.3Yes
US8802673, 145C16H16F4N4O2372.32410 / 22.3Yes
CHEMBL3126705C23H20Cl2N2O4S491.3834 / 24.8Yes
3-(benzoylamino)-2-thiophenecarboxylic acidC12H9NO3S247.2684 / 22.8Yes
CHEMBL3093226C21H27N5O3397.4795 / 02.7Yes
MLS000936876C31H40N6O3544.77 / 13.3No
CHEMBL3220637C11H18N6234.3073 / 30.8Yes
CHEMBL196961C29H33N5O2S515.6767 / 04.0No
CHEMBL417135C25H16N2O5424.4127 / 13.8Yes
MLS001094918C17H19N3O3S3409.5377 / 13.2Yes
CID 11668762C21H14Cl2N2OS413.3162 / 06.0No
MLS000544661C18H12Br2N4444.133 / 04.6Yes
ASN 05108125C21H21FN2O4384.4075 / 22.1Yes
CHEMBL316039C21H26N4O350.4663 / 22.4Yes
AC1P0YZXC22H28N2O4S416.5365 / 13.3Yes
UR-AK68C16H21N5O299.3783 / 32.1Yes
CHEMBL341884C39H64N12O8829.01712 / 81.1No
CHEMBL92713C21H26ClN3O2387.9084 / 13.8Yes
CHEMBL3964891C28H29F8N3O2591.54611 / 15.9No
SMR000064312C24H20N4O4S460.5087 / 04.5Yes
CHEMBL1643598C20H27N3O4S2437.5737 / 13.4Yes
CHEMBL317269C23H31NO4385.5045 / 12.5Yes
MLS000563058C19H18O11422.34211 / 8-0.4No
CHEMBL358348C22H23NO3349.434 / 11.2Yes
CHEMBL367444C29H33N5O7S3659.79113 / 24.9No
MLS001166970C23H29N3O7S491.5598 / 22.1Yes
CHEMBL3426944C20H15BF4N2O4S466.21410 / 3N/AN/A
CHEMBL130607C34H31F2N5O4611.6510 / 05.1No
AC1O65BWC15H18N4O270.3363 / 22.3Yes
CHEMBL3114468C30H31N5O3S541.675 / 12.7No
CHEMBL388243C26H17BrF5NO3566.3228 / 17.2No
CID 15005336C32H30ClN5O3568.0746 / 25.6No
SMR000034616C23H22N2O7S470.4969 / 13.3Yes
CHEMBL1867859C18H20N4O3340.3834 / 11.4Yes
MLS001215892C19H16N2O4336.3476 / 03.8Yes
MLS000624501C19H18Br2N2OS482.2343 / 0N/AN/A
CHEMBL9139C27H34N2O6482.5777 / 11.7Yes
MLS001001553C22H27F2NO359.4614 / 14.7Yes
SCHEMBL18211801C27H26FN3O3459.5215 / 23.8Yes
4-methyl-N-(2-nitrophenyl)benzenesulfonamideC13H12N2O4S292.3095 / 13.2Yes
AC1NHW49C25H27ClN2O4S487.0116 / 14.2Yes
CHEMBL135295C21H22N2OS350.484 / 04.1Yes
SCHEMBL6820733C21H23F3N4S420.4986 / 24.3Yes
AC1MDKMDC20H21ClN2O6420.8468 / 2N/AN/A
MLS001066639C12H5F2N3O4S325.2468 / 13.3Yes
CHEMBL220801C26H34FN3O3455.5745 / 33.5Yes
2-chloro-3-[(2-piperidinoethyl)amino]naphthoquinoneC17H19ClN2O2318.8014 / 13.4Yes
104768-37-8C13H14N2O214.2683 / 22.7Yes
CHEMBL1516117C22H21FN2O3380.4194 / 14.3Yes
CHEMBL3979588C20H13FN2O3S380.3936 / 03.5Yes
9-Hydroxyimino-9H-fluorene-2,7-disulfonic acid bis-diethylamideC21H27N3O5S2465.5838 / 13.1Yes
3-[(2-chlorobenzyl)oxy]benzoic acidC14H11ClO3262.6893 / 13.5Yes
MLS001140883C34H35N5O4577.6855 / 24.0No
AC1NK12EC22H24N4O3392.4594 / 12.1Yes
CHEMBL1916222C22H31N3O3385.5084 / 02.7Yes
CHEMBL308685C26H36N6O3S512.6737 / 33.3No
N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamideC18H15N5O317.3524 / 12.2Yes
MLS002702386C19H18N6S362.4555 / 12.0Yes
CHEMBL1472848C19H12ClF3N6OS464.8519 / 15.0Yes
850914-98-6C20H23N7O2S2457.5718 / 02.8Yes
CHEMBL1642882C18H19ClN4O2S390.8865 / 33.4Yes
MLS001217465C23H24N2O7440.4528 / 2N/AN/A
CHEMBL476363C20H23N3O2S369.4836 / 04.2Yes
CHEMBL275874C18H25N3283.4193 / 13.8Yes
AC1LGQY2C13H13N3O2243.2664 / 12.0Yes
CHEMBL1683363C19H20N4O3352.3945 / 2-0.7Yes
CHEMBL135616C22H29BrN2O417.3913 / 14.8Yes
CHEMBL114732C28H25Cl2N3O4S570.4856 / 16.3No
SMR000650510C32H28N4O6564.5986 / 23.8No
MLS001201674C25H28N4O4S2512.6437 / 23.5No
CHEMBL3971461C18H13FN2O3S356.3716 / 02.8Yes
CHEMBL347544C15H13ClN2O2S320.7914 / 33.4Yes
CHEMBL2057492C19H21FN4O3S404.467 / 00.9Yes
CHEMBL3264220C23H28N2O4396.4874 / 13.5Yes
CHEMBL485119C15H12N2O8348.2678 / 5-0.1Yes
MLS002699500C33H40N2O4528.6934 / 16.7No
CHEMBL288371C28H28N2O2S456.6044 / 14.7Yes
CHEMBL3742207C22H26ClN5O411.9346 / 15.1No
CHEMBL3922201C28H29F8N3O2591.54611 / 15.9No
N1,N2-Di(pyridin-2-yl)oxalamideC12H10N4O2242.2384 / 20.9Yes
CHEMBL437156C30H42N4O4522.695 / 54.5No
AC1M5D8KC19H16N2O6368.3457 / 12.2Yes
4-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-1-amineC10H6F3N5253.1887 / 12.1Yes
CHEMBL2113345C17H18N4O4342.3555 / 31.8Yes
3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-oneC21H23NO4353.4184 / 03.3Yes
AC1N0PM3C19H18F3N3O3393.3667 / 24.8Yes
CHEMBL2113273C24H41N3O387.6122 / 05.2No
MLS000037230C16H16N2O5S2380.4336 / 11.2Yes
SMR000152537C23H27N5O3S2485.6218 / 16.2No
MLS001079186C22H22N2O3S394.4895 / 04.8Yes
MLS000375046C15H20F3N3O2331.3397 / 24.9Yes
AC1MHC88C17H19NO4301.3424 / 12.2Yes
[Pip7]OTC44H68N12O12S21021.2215 / 12-2.2No
SMR000172889C28H31N3O4473.5734 / 24.4Yes
CHEMBL337789C25H29F6N3O3533.51511 / 13.5No
CHEMBL1084165C29H30ClF6N3O3618.01711 / 26.2No
AC1LCK6HC23H28N2O5412.4865 / 13.6Yes
AC1NSJL8C17H19NO2269.3442 / 13.0Yes
CHEMBL2314768C18H21FN6340.4066 / 12.3Yes
AKOS003670054C19H23N3O5373.4097 / 2N/AN/A
SCHEMBL4529392C27H24N2OS424.5623 / 05.5No
MLS000563453C19H24O7364.3947 / 3-0.2Yes
CHEMBL380504C22H21F3N2O2S434.4778 / 25.7No
MLS000761387C24H32N4O4S2504.6647 / 13.1No
CHEMBL1080571C26H32N4O2432.5684 / 13.9Yes
CHEMBL201177C21H24N2304.4371 / 14.6Yes
CHEMBL506803C27H26Cl2FN454.412 / 07.9No
CHEMBL2031757C22H25FN2O352.4533 / 04.0Yes
CHEMBL434658C24H32N2O3396.5314 / 34.0Yes
CHEMBL80711C26H32N4O6496.5649 / 3N/AN/A
MLS002603684C30H40N2O6524.6586 / 23.6No
BDBM50383001C129H207N43O33S22952.4641 / 44-9.9No
CHEMBL2333480C27H28F2N4O462.5455 / 03.9Yes
ASN 03430860C16H11N3O3S325.3426 / 11.8Yes
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamideC19H21N3O5S403.4536 / 12.0Yes
BCB02_000134C22H25NO4S399.5055 / 04.0Yes
SMR000091931C21H20N4O2360.4175 / 13.4Yes
SCHEMBL16023414C17H18F2N6O360.3698 / 02.2Yes
AC1LEVMSC17H13NO2263.2963 / 03.7Yes
Azepan-1-yl-(8-ethyl-4-hydroxy-quinolin-3-yl)-methanoneC18H22N2O2298.3863 / 13.2Yes
CHEMBL48897C32H37ClN4O3S593.1837 / 28.2No
MLS001116095C20H20ClN3O2369.8493 / 13.5Yes
MLS000420360C25H25ClN4O5496.9486 / 34.2Yes
MLS002165083C15H22BrN3O3S2436.3836 / 02.3Yes
CHEMBL464921C21H27N3O3S2433.5857 / 03.3Yes
N-(2,4-difluorophenyl)-2-[(6-pyridin-2-ylpyridazin-3-yl)thio]acetamideC17H12F2N4OS358.3677 / 12.4Yes
CHEMBL95302C19H23N5O4385.4248 / 42.3Yes
CHEMBL56534C17H11BrN2O3S403.255 / 15.6No
CHEMBL3909223C26H25FN6O2472.5247 / 03.9Yes
1,2,3,4-tetrahydropyrazino[1,2-a]indoleC11H12N2172.2311 / 11.1Yes
CHEMBL66387C33H36N2O2492.6633 / 06.6No
CHEMBL134843C17H25NO6339.3887 / 4N/AN/A
BDBM65105C24H32NO5P445.4966 / 30.6Yes
BDBM65106C24H32NO5P445.4966 / 30.6Yes
CHEMBL1084612C22H36N4O12P2610.49413 / 6N/ANo
MLS000780118C9H8N4OS2252.315 / 11.5Yes
CHEMBL1512678C23H19F2N3O2407.4214 / 23.7Yes
MLS000548575C13H10BrNO4324.134 / 12.6Yes
CHEMBL33377C27H35N11O4577.658 / 80.1No
SMR000005863C20H19N7OS2437.548 / 13.1Yes
CHEMBL377828C26H29N3O3431.5366 / 23.0Yes
CHEMBL172551C33H44N4O2528.7415 / 13.6No
CHEMBL1173061C22H19N5O2S2449.5477 / 14.7Yes
CHEMBL206631C21H20ClNO2353.8462 / 14.7Yes
SCHEMBL17557608C34H30Cl2N4O5S677.5979 / 27.5No
CHEMBL2348219C25H35N3O6473.577 / 52.3Yes
AC1LV8MWC18H20BrN3O4422.2795 / 23.3Yes
Paroxetine maleateC23H24FNO7445.4439 / 3N/AN/A
2,3-Diphenyl-2-azaspiro[3.5]nonan-1-oneC20H21NO291.3941 / 04.5Yes
MLS001149840C22H21NO2S363.4753 / 04.9Yes
CHEMBL3235265C25H26N4O2414.5094 / 13.9Yes
CHEMBL3759448C21H21N3O3S395.4775 / 13.8Yes
CHEMBL166827C32H40Cl4N4O6S750.5548 / 13.7No
SMR000300489C25H23F2N5O5S543.54610 / 12.2No
SMR000104990C17H17NO251.3292 / 13.1Yes
CHEMBL263632C19H30O2290.4472 / 23.8Yes
CHEMBL106345C21H24Cl2N2O391.3362 / 04.6Yes
CHEMBL38576C21H24Cl2N2O391.3362 / 04.6Yes
CHEMBL320882C21H24Cl2N2O391.3362 / 04.6Yes
CHEMBL455418C34H27Cl2F2N5O2646.526 / 2N/ANo
CHEMBL74476C35H43N5O6S661.8187 / 25.8No
SMR000107691C22H17FN4O3404.4015 / 23.6Yes
CHEMBL310343C25H27ClN2O406.9543 / 16.3No
N,N'-diallyl-1,4-cyclohexanedicarboxamideC14H22N2O2250.3422 / 21.3Yes
MLS004801940C17H24BrN3O3398.3016 / 12.4Yes
CHEMBL1765270C24H28N2O2376.53 / 13.4Yes
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amineC23H21N3O2371.444 / 15.8No
MLS003270063C21H17F6N5O469.39110 / 14.2Yes
Dimethyl-[6-(2-piperidin-1-yl-ethoxy)-benzothiazol-2-yl]-amineC16H23N3OS305.445 / 03.7Yes
MLS000950735C19H26N2O3S362.4884 / 02.6Yes
CHEMBL2312348C22H25NO3351.4464 / 03.1Yes
AC1NJ8X2C15H12ClN3O7S413.7858 / 11.6Yes
MLS-0271926.0001C19H22N4O4S2434.5297 / 21.4Yes
CHEMBL405672C53H71N11O10S21086.3414 / 132.5No
CHEMBL117821C31H24N2O4488.5435 / 24.8Yes
AC1LRTVNC22H19FN2O3S410.4635 / 14.6Yes
2-methoxyethyl 5-((cyclopropanecarbonyl)oxy)-1,2-dimethyl-1H-indole-3-carboxylateC18H21NO5331.3685 / 02.3Yes
MLS000735483C22H28ClNO357.9222 / 15.1No
AC1NHI54C25H31N3O4437.544 / 23.8Yes
MLS000059148C15H13NO2S271.3343 / 04.0Yes
AC1MCZAKC8H16NO4PS2285.3136 / 21.3Yes
CHEMBL515648C22H18ClFN4O408.8616 / 05.3No
CHEMBL478202C22H18ClFN4O408.8616 / 05.3No
CHEMBL143172C17H33NO2S315.5164 / 24.2Yes
CHEMBL231049C24H31N3O2393.5313 / 12.7Yes
CHEMBL545490C13H17ClN2O252.7423 / 1N/AN/A
N-[3-(1H-benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamideC24H25N3O4S451.5416 / 13.5Yes
Butyrolactone IIC19H16O7356.337 / 32.4Yes
FK 1052C18H19N3O293.372 / 13.2Yes
CHEMBL238915C21H24ClN3O3S433.9515 / 03.6Yes
CHEMBL259263C30H38N4O3S534.7196 / 05.8No
MLS001017993C24H25FN4O2420.4885 / 02.8Yes
MLS003678763C25H22FN3O4447.4666 / 13.7Yes
N-cyclohexyl-N-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamideC18H22N2O2298.3862 / 13.6Yes
MLS000557830C24H23N3O369.4684 / 04.1Yes
CHEMBL2380424C25H25NO2371.482 / 05.7No
CHEMBL382435C32H38ClFN2O5S2649.2337 / 05.2No
AC1M3KZKC17H18BrN3O4S440.3125 / 34.4Yes
CID 135462249C15H12ClN3O2S333.795 / 34.3Yes
MLS000034506C29H31N5O2481.65 / 13.1Yes
(1S,2R)-2-phenylcyclopropanamineC9H11N133.1941 / 11.5Yes
tranylcypromineC9H11N133.1941 / 11.5Yes
2-PhenylcyclopropanamineC9H11N133.1941 / 11.5Yes
SMR000010089C20H20N2O3336.3914 / 13.6Yes
CHEMBL376040C58H78N12O181231.3319 / 16-4.0No
SCHEMBL3561492C13H16N2O216.2842 / 11.3Yes
SCHEMBL3555280C13H16N2O216.2842 / 11.3Yes
SCHEMBL2583224C27H32N4O3460.5786 / 14.5Yes
CHEMBL325664C19H23N5O337.4275 / 13.5Yes
CHEMBL119841C20H16N4312.3764 / 14.3Yes
AC1LGD0TC12H14N4O4S2342.3888 / 2-0.2Yes
2-(3-Cyclohexanecarbonyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamideC22H28N2O3368.4773 / 13.6Yes
2-(2,4-Dichloro-phenoxy)-N-pyridin-3-yl-propionamideC14H12Cl2N2O2311.1623 / 13.7Yes
CHEMBL360492C11H13ClFN213.682 / 12.8Yes
CHEMBL1927430C19H28N8O5448.48411 / 31.0No
MLS001140001C18H19N3O7389.3647 / 21.3Yes
CHEMBL574502C23H22ClN7O3479.9257 / 14.3Yes
SCHEMBL16222656C20H23ClN6O2S446.9547 / 02.4Yes
AC1LOLKHC18H19ClN2O3S378.8714 / 13.5Yes
MLS001105216C16H18FNO3291.3224 / 03.1Yes
CHEMBL1395392C22H24FN3O5S2493.5689 / 03.0Yes
CHEMBL609994C20H22IN3O2S495.3794 / 24.1Yes
BDBM50159192C20H22IN3O2S495.3794 / 24.1Yes
AC1O7FZWC19H26O2286.4152 / 02.7Yes
androstenedioneC19H26O2286.4152 / 02.7Yes
MLS001163969C19H26O2286.4152 / 02.7Yes
SMR000186960C19H18ClNO2327.8083 / 13.7Yes
AC1LD7VNC14H12N4O2S300.3366 / 02.2Yes
453529-59-4C17H15N3O5341.3237 / 03.2Yes
CHEMBL219461C78H103ClN18O161584.2418 / 172.4No
MLS000518785C22H23N3O3377.4445 / 04.3Yes
SCHEMBL6928865C17H11F2N3O2327.2916 / 12.7Yes
28045-90-1C11H9ClO3224.643 / 02.6Yes
CHEMBL469790C22H19ClN4O3S454.9297 / 15.0Yes
CHEMBL347132C25H32N2O2392.5434 / 13.8Yes
LASSBio-683C20H25ClN2O3376.8815 / 1N/AN/A
CHEMBL277167C23H28N2O7S476.5449 / 13.9Yes
ZINC15961440C14H11F6N5O379.26610 / 22.8Yes
CHEMBL3235731C22H34N4O3402.5395 / 11.8Yes
CHEMBL518264C18H23NO4317.3855 / 12.1Yes
CHEMBL598095C25H23Cl3N6O2545.8495 / 25.4No
CHEMBL1355065C19H20N2O2308.3812 / 12.9Yes
CHEMBL429099C31H34N6O506.6543 / 25.3No
CHEMBL269396C21H22ClN323.8641 / 06.1No
2-(3-Cyano-6-methoxy-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamideC16H15N3O2S313.3755 / 12.6Yes
MLS002156781C18H24FN3O3349.4064 / 22.2Yes
CHEMBL23620C23H23N3O3389.4554 / 11.7Yes
CHEMBL3774425C23H26F3N7S489.56510 / 03.2Yes
CHEMBL1535105C23H27N3O3S425.5476 / 14.3Yes
CHEMBL3921396C25H34N2O5S474.6166 / 42.6Yes
CHEMBL420718C27H31N5O2457.5785 / 03.9Yes
CHEMBL216192C28H32N4O3472.5894 / 34.5Yes
CHEMBL1325349C18H19ClN2O6S426.8687 / 12.1Yes
SCHEMBL16755980C21H24ClN5381.9084 / 14.8Yes
MLS000073232C18H25N3O3S363.4766 / 03.6Yes
CHEMBL3315221C25H25N3O3415.4934 / 24.7Yes
CHEMBL3597637C25H29ClN4O2452.9835 / 14.4Yes
SMR000140348C17H18Cl2N2321.2452 / 04.6Yes
NCGC00012967C23H22FN5O403.4616 / 03.4Yes
CHEMBL3221571C18H26N4S330.4943 / 23.4Yes
ASN 07441523C13H15NO4S281.3265 / 02.7Yes
adenosine-2'-5'-diphosphateC10H15N5O10P2427.20314 / 6-4.6No
AC1L1CRIC10H15N5O10P2427.20314 / 6-4.6No
CHEMBL468551C28H24F5N3O3545.519 / 14.5No
MLS000522059C19H18N4OS350.443 / 25.1No
CHEMBL490250C17H22ClN5O4395.8448 / 42.3Yes
ethionamideC8H10N2S166.2422 / 11.1Yes
MLS001172392C16H17Cl2N3O338.2323 / 13.3Yes
CHEMBL157552C25H23ClN6O4506.9478 / 25.4No
SMR000066781C24H33N3O6459.5437 / 23.3Yes
CHEMBL1202000C64H77N13O61124.4113 / 47.7No
CHEMBL72891C31H46BrN5O5S680.7036 / 56.0No
CHEMBL137185C21H21ClN2OS384.9224 / 05.0Yes
4-ethoxy-N-(2-methylcyclohexyl)benzenesulfonamideC15H23NO3S297.4134 / 13.5Yes
CHEMBL3342860C27H32F3N3O4519.5659 / 03.9No
CHEMBL198313C28H28Cl2N2O479.4453 / 16.3No
CHEMBL2158025C29H29N3OS467.6314 / 16.2No
CHEMBL123048C25H34N4O2S454.6336 / 04.6Yes
CHEMBL242626C36H40N6O4S652.8147 / 34.6No
SMR000077435C22H29N5O3S443.5666 / 22.9Yes
CHEMBL3220892C17H23N5O313.4053 / 21.7Yes
CHEMBL3793395C25H24FN3O2417.4844 / 04.4Yes
NCGC00010614C24H18N4O3S442.4937 / 04.2Yes
CHEMBL1325362C18H13ClN4O336.7794 / 24.5Yes
CHEMBL3185419C14H15FN4O274.2993 / 11.9Yes
SCHEMBL1614189C24H33N3O5S475.6048 / 04.1Yes
CHEMBL3410212C17H11N3O273.2953 / 02.2Yes
CHEMBL78532C24H24N8S456.5726 / 24.2Yes
SCHEMBL17557600C35H32Cl2N4O2611.5676 / 26.3No
2-[3-(4-Methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexanoneC22H24O3336.4313 / 04.0Yes
MLS000324919C25H26N4O2414.5094 / 14.4Yes
AC1NW0NQC14H13NO4S291.3215 / 02.5Yes
CHEMBL2031828C39H42FN7O2659.816 / 44.7No
CHEMBL2031696C39H42FN7O2659.816 / 44.7No
CHEMBL552484C32H46ClN5O2568.2035 / 36.3No
CHEMBL451962C34H39N5O4581.7175 / 44.1No
MLS000556050C21H18N4O3S406.465 / 24.5Yes
CHEMBL160354C30H38N2O6522.6427 / 2N/ANo
CID 10665976C20H28N4O2356.474 / 02.2Yes
methyl 3-(2-methylfuran-3-amido)thiophene-2-carboxylateC12H11NO4S265.2835 / 12.6Yes
CHEMBL127337C13H14Br2N2O2390.0752 / 23.3Yes
CHEMBL2047444C15H19N3O257.3372 / 22.0Yes
AC1MCG5WC10H6Cl2F3N3S328.1346 / 14.5Yes
CHEMBL606706C20H23N3O2S369.4834 / 23.4Yes
CHEMBL606546C20H23N3O2S369.4834 / 23.4Yes
BDBM50159207C20H23N3O2S369.4834 / 23.4Yes
MLS001204181C20H32ClN3O3S430.0045 / 2N/AN/A
CHEMBL319730C37H37Cl2N5O5S734.6936 / 27.7No
CHEMBL3735405C42H46Cl2N8O4797.7826 / 65.2No
AC1OFGIQC18H18N2O4S358.4125 / 11.9Yes
SCHEMBL5643095C22H32ClN3O2405.9673 / 1N/AN/A
CHEMBL449341C17H14Cl2N2O3S397.274 / 14.2Yes
SCHEMBL16464778C24H24N6O4460.4948 / 03.6Yes
procaterol hydrochlorideC16H23ClN2O3326.8214 / 5N/AN/A
BAS 07529138C10H8F3N5255.2048 / 22.4Yes
tetrahydropalmatineC21H25NO4355.4345 / 03.2Yes
D-TetrahydropalmatineC21H25NO4355.4345 / 03.2Yes
Sodium valproateC8H15NaO2166.1962 / 0N/AN/A
CHEMBL1173017C29H39N5457.6665 / 05.2No
MLS002638234C21H20O3320.3883 / 04.0Yes
CHEMBL553082C19H20N2O3324.385 / 02.5Yes
Frangulin BC20H18O9402.3559 / 51.3Yes
CHEMBL542786C20H27NO2313.4413 / 14.5Yes
CHEMBL3299115C18H19NO5329.3525 / 22.8Yes
CHEMBL1784230C21H25ClN4O3416.9065 / 13.1Yes
3-[(3-bromo-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinoneC14H14BrNO3S356.2343 / 12.6Yes
AC1NNSZJC21H25NO3S371.4954 / 26.1No
CHEMBL566890C22H26ClN7O2455.9475 / 03.0Yes
F1071-0225C17H18N2O3298.3424 / 02.9Yes
83184-32-1C11H9N5211.2283 / 21.2Yes
CHEMBL105095C23H33N3O5S463.5937 / 51.6Yes
CHEMBL246851C27H26FNO4447.5066 / 05.4No
CHEMBL110999C23H30N2O4S430.5636 / 23.6Yes
[Sar4]PACAP38C204H333N63O53S4548.3667 / 67-17.9No
MLS000734999C20H24N2OS340.4854 / 03.5Yes
CHEMBL332178C19H21NO279.3832 / 03.3Yes
N'-(1-methyl-3-oxo-1,3-dihydro-2H-indol-2-ylidene)benzohydrazideC16H13N3O2279.2993 / 13.6Yes
AC1LO4I6C19H23ClN4O358.873 / 23.2Yes
CHEMBL125751C18H16N2O2292.3383 / 13.4Yes
2-({3-[2-(acetylamino)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)-N-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamideC22H25N5O5S2503.5928 / 31.0No
SMR000000940C18H18ClN5OS387.8864 / 22.9Yes
ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoateC12H13Cl2N3O3318.1544 / 22.2Yes
ZalospironeC24H29N5O2419.5296 / 01.4Yes
CHEMBL1204094C24H29N5O2419.5296 / 01.4Yes
SCHEMBL2193122C14H19N3O245.3262 / 12.1Yes
CHEMBL126337C26H27ClN2O4S499.0226 / 15.4No
BDBM79952C20H20N2O6384.3886 / 23.4Yes
SMR000064971C17H15F2NO5351.3067 / 13.4Yes
SCHEMBL16655666C24H24N6O412.4975 / 14.0Yes
SCHEMBL4541596C22H24N4O3S424.5197 / 03.2Yes
CHEMBL3704558C25H25N3O7479.4899 / 32.8Yes
MLS000558298C24H28Cl2N4O2S507.4745 / 2N/ANo
CHEMBL186443C19H20N8O4424.42110 / 4-0.4Yes
6-(2,3-dimethylphenoxy)-N-(2-oxotetrahydro-3-thiophenyl)nicotinamideC18H18N2O3S342.4135 / 13.3Yes
CHEMBL60185C19H20N2O292.3822 / 23.5Yes
AC1NCM4XC24H31NO4397.5155 / 13.3Yes
AC1MXNL5C12H17O5P272.2375 / 20.0Yes
CHEMBL127463C25H24FN3O401.4854 / 14.7Yes
CHEMBL3715203C22H18F3N3O5S493.4579 / 24.2Yes
MLS002707262C11H14N4O5282.2568 / 5-1.2Yes
AC1MDECVC21H20FN3O4S429.4666 / 04.4Yes
CHEMBL235798C26H29N5O427.5522 / 33.3Yes
AC1NRAG3C14H18N2S246.3721 / 22.8Yes
CHEMBL2431236C28H30N4O3470.5737 / 05.5No
AC1MBC2RC17H15N3O3S2373.4458 / 34.7Yes
CHEMBL257256C16H18ClN3O2S351.8495 / 13.9Yes
CHEMBL3317726C21H13F2NOS365.3985 / 05.6No
SCHEMBL6530223C21H23BrN2O3S463.394 / 04.5Yes
CHEMBL169683C29H36N2O6508.6157 / 26.5No
N,N'-bis(2-nitrophenyl)propanediamideC15H12N4O6344.2836 / 22.9Yes
CHEMBL282601C30H42N2O4494.6765 / 26.4No
CHEMBL3742398C23H20F2N2O6S490.4788 / 03.7Yes
CHEMBL62754C30H42N4O5538.6895 / 15.3No
CHEMBL481755C27H29F3N2O454.5376 / 17.3No
CHEMBL2178577C32H44F2N2O5S2638.838 / 04.7No
CHEMBL1933352C24H27N3O4421.4975 / 23.8Yes
Pulicatins FC10H8N2O2S220.2464 / 21.5Yes
CHEMBL310106C34H43ClN4O5S655.2517 / 15.6No
cid_655014C16H12N4OS2340.4196 / 23.3Yes
MLS002159455C21H17ClF3N3O3451.837 / 14.1Yes
2'-HydroxychalconeC15H12O2224.2592 / 13.9Yes
MLS000560744C17H20N2O4S348.4176 / 23.2Yes
CHEMBL124724C18H20N6320.44 / 14.3Yes
CHEMBL599835C30H33F2NO4509.5946 / 26.6No
AC1OXGXEC20H23N3O4S401.4815 / 22.2Yes
SMR000058033C22H24N2O3364.4453 / 13.6Yes
CHEMBL2260849C22H31NO325.4962 / 14.4Yes
NSC37904C12H13N3O2S263.3155 / 30.9Yes
CHEMBL1079007C22H27N3O2S397.5376 / 26.0No
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamideC21H22N2O4366.4174 / 12.3Yes
CHEMBL3969980C19H17F2N3325.3635 / 24.1Yes
CHEMBL1257214C23H28FN5S2457.637 / 04.6Yes
3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamideC24H23N3O5433.4647 / 12.8Yes
SR-01000667237C19H18ClF3N2O2398.816 / 04.5Yes
1-benzyl-3-(2-ethyl-6-methylphenyl)thioureaC17H20N2S284.4211 / 24.2Yes
CHEMBL1255606C19H27N3O6393.448 / 13.2Yes
MLS000569384C18H20N2O2S2360.495 / 14.8Yes
CHEMBL3904529C21H14FN3O2359.365 / 02.7Yes
CEP-11981C28H27N7O477.5725 / 23.9Yes
UNII-63K7WDR6RXC20H19N7O2388.4197 / 12.7Yes
316173-57-6C20H19N7O2389.4197 / 12.7Yes
CHEMBL180119C24H31NO349.5182 / 05.5No
MLS000937048C14H15BrN2O4S2419.3086 / 13.0Yes
CHEMBL228740C22H23NOS349.4923 / 14.3Yes
MLS000556000C15H17N3O5S2383.4377 / 13.2Yes
CHEMBL1433681C20H18ClN3OS383.8944 / 14.6Yes
MLS000041001C17H19N3O281.3594 / 04.2Yes
AC1MAW8XC19H17NO5339.3475 / 13.3Yes
MLS000662857C24H24ClN3O3437.9244 / 24.1Yes
AC1MGOATC18H23BrClNO2400.7413 / 3N/AN/A
MLS000043317C19H14N4O3346.3464 / 22.4Yes
PSB-6426C22H29N4O10P540.46610 / 5-1.6No
AC1MEKKVC14H18N2OS262.3712 / 12.9Yes
CHEMBL123144C16H15BrN6371.2424 / 14.1Yes
AC1MLZPMC25H25NO3387.4793 / 14.7Yes
CHEMBL1830907C15H12N6S308.3636 / 22.8Yes
methyl 5-cyano-6-(2,6-dimethylmorpholino)-2-methylnicotinateC15H19N3O3289.3356 / 01.8Yes
CHEMBL3115784C20H26BrNO3408.3363 / 15.6No
SCHEMBL16463160C23H18F4N6O3502.4311 / 04.9No
1-[(2,2-dichlorocyclopropyl)methyl]-5,6-dimethylbenzimidazoleC13H14Cl2N2269.1691 / 03.7Yes
MLS000590577C29H20ClNO2449.9342 / 06.1No
MLS001138648C19H23N3O3S373.4715 / 12.8Yes
MLS000078794C11H13N5O231.2595 / 00.6Yes
SMR000063314C23H24N2O6S456.5137 / 02.8Yes
CHEMBL1995837C27H26BrN3O3520.4275 / 06.2No
3-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydroisoxazole-5-carboxamideC17H17N3O4327.346 / 11.6Yes
MLS002162178C18H19N5O6S2465.49910 / 21.3Yes
CHEMBL239917C22H26ClN3O383.923 / 03.9Yes
1-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-phenylureaC22H26N6O2406.494 / 21.1Yes
MLS000687475C20H13BrN2O2393.243 / 04.0Yes
MLS000680598C19H24BrNO362.3112 / 05.2No
CHEMBL3800120C26H32N4O6496.5649 / 33.2Yes
CHEMBL2371018C38H40N4O6648.767 / 52.3No
CHEMBL2371027C38H40N4O6648.767 / 52.3No
CHEMBL3218981C18H28N2O288.4352 / 13.0Yes
MLS002472179C30H28ClFN2O4535.0125 / 15.3No
AC1LDCDSC14H15N3O2257.2935 / 12.1Yes
AC1LIYRBC14H12N4O2268.2766 / 02.1Yes
MLS000331633C22H15NO5373.3646 / 03.9Yes
CHEMBL75491C12H11N5225.2554 / 21.6Yes
NSC623637C19H16O5324.3325 / 03.1Yes
SCHEMBL17334442C22H24N4O2376.464 / 03.3Yes
GNF-Pf-3723C19H22ClN5O371.8696 / 3N/AN/A
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamideC10H14ClN3O227.6922 / 11.7Yes
MLS000766525C24H25NO4S423.5275 / 24.7Yes
40945-79-7C15H17NO4275.3044 / 02.4Yes
MLS001197876C19H18O4310.3494 / 03.7Yes
CHEMBL2171022C25H28Cl2N2O5507.4086 / 12.7No
CHEMBL262530C28H36O7484.5897 / 25.4No
MLS001235503C23H29N3O6S475.567 / 22.4Yes
Maybridge3_003828C13H14BrN3O308.1792 / 12.2Yes
SMR000008223C20H25N7O2395.4677 / 01.3Yes
CHEMBL2179729C21H26N2O2338.4512 / 24.0Yes
SMR000065253C21H20N4O3S408.4766 / 02.9Yes
AC1M7MY1C18H14N4O2318.3364 / 13.5Yes
SMR000020474C22H20N4O6436.4248 / 11.9Yes
CHEMBL1823844C24H22ClN5O4S511.9817 / 13.4No
CHEMBL443274C15H20N4O2288.3513 / 22.6Yes
CHEMBL1079480C23H25F3N6S474.559 / 03.4Yes
SMR000061237C18H17Cl2N3O4410.2515 / 2N/AN/A
690245-63-7C25H27N3O4S465.5686 / 13.4Yes
CHEMBL1801742C29H31N7477.6165 / 16.4No
CHEMBL545643C15H23ClFNO287.8033 / 2N/AN/A
CHEMBL542589C15H23ClFNO287.8033 / 2N/AN/A
CHEMBL539497C15H23ClFNO287.8033 / 2N/AN/A
MLS000530100C14H14N2O3S290.3375 / 12.3Yes
CHEMBL364398C23H37N3O3S435.6276 / 13.3Yes
AC1NHSUNC22H32N2O5S436.5676 / 13.4Yes
SMR000146399C23H24N2O4392.4555 / 23.5Yes
CHEMBL2030161C28H30N2O3S474.6194 / 25.0Yes
AC1O02LPC24H26BrN3O4500.3935 / 13.2No
MLS003551879C32H48N2O4524.7464 / 16.5No
CHEMBL18512C26H26FN3O2S463.5715 / 14.9Yes
CHEMBL1591823C17H10BrN3O3S2448.3097 / 03.9Yes
2-phenyl-N-(1-phenylethyl)quinazolin-4-amineC22H19N3325.4153 / 15.7No
CHEMBL298893C16H24N2O2276.383 / 12.4Yes
CHEMBL609676C16H24N2O2276.383 / 12.4Yes
MLS000390089C15H13N3235.293 / 13.6Yes
AC1LGXBPC20H23NO2309.4092 / 24.4Yes
CHEMBL441206C75H109N19O131484.8216 / 150.5No
AC1M2LTZC21H19N3O5S425.4597 / 13.9Yes
SMR000196791C14H20N2OS264.3872 / 23.5Yes
CHEMBL266715C30H37F3N4O6606.6439 / 34.0No
MLS001111226C12H11F3N4O2300.2416 / 22.3Yes
N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazole-4-carboxamideC22H19F6N3OS487.4649 / 15.9No
SCHEMBL343457C22H16ClN3O4S453.8977 / 14.4Yes
CHEMBL2391832C20H13N3O3S375.4026 / 13.8Yes
CHEMBL332703C34H41N3O6S619.7778 / 14.6No
MLS000041097C20H17NO2303.3613 / 02.9Yes
AC1OXI2PC20H19ClN4O4414.8465 / 13.3Yes
CHEMBL237877C24H29N3O3407.5144 / 02.5Yes
MLS001215291C19H16N2O4S3432.5277 / 14.4Yes
MLS000113046C16H13N3OS295.364 / 03.4Yes
3-hydroxy-3-[2-(4-isopropylphenyl)-2-oxoethyl]-1-propyl-1,3-dihydro-2H-indol-2-oneC22H25NO3351.4463 / 14.1Yes
CHEMBL236014C27H36Cl2FN5O2552.5166 / 33.6No
CHEMBL236015C27H36Cl2FN5O2552.5166 / 33.6No
CHEMBL210899C40H45N5O6691.8297 / 16.3No
CHEMBL1091832C25H20Cl2N2O4483.3455 / 26.3No
MLS002391236C24H22N8O4486.4926 / 61.5No
CHEMBL341681C28H27F2N3O3491.5395 / 35.2No
CHEMBL1394849C23H28N2O3S412.5484 / 04.2Yes
MLS000544342C29H31N3O5501.5836 / 25.5No
SCHEMBL1672410C22H26N4O3394.4756 / 02.8Yes
CHEMBL1436547C25H25ClN4O432.9523 / 24.8Yes
CHEMBL117224C23H30N2O4S430.5636 / 23.7Yes
CHEMBL2179699C25H38N4O410.6063 / 15.8No
MLS000679069C13H18N2O2S266.3594 / 02.5Yes
N-(4-{[2-(3-bromo-4-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamideC22H18BrN3O3452.3084 / 34.4Yes
CHEMBL3809808C26H29NO2387.5233 / 14.8Yes
MLS000072765C23H26N4O4S454.5456 / 23.8Yes
MLS000560771C16H16N2O4S332.3746 / 22.6Yes
CHEMBL3985942C23H22FN7O2447.4747 / 02.5Yes
CHEMBL109360C17H24N2O2288.3913 / 12.7Yes
AC1MGE58C19H20ClNOS345.8853 / 2N/AN/A
SCHEMBL2520315C19H18ClN3O339.8232 / 03.6Yes
MLS002232289C26H28F3N7O3543.55112 / 4N/ANo
CHEMBL1091579C28H34N6O2486.625 / 14.2Yes
AC1MFQXFC20H22N2O3338.4074 / 04.8Yes
CHEMBL412174C52H67BrN12O81068.099 / 113.0No
MLS002232282C20H15F3N4O2400.3618 / 3N/AN/A
MLS003119326C23H21F3N4O2S474.5027 / 24.5Yes
MLS000031974C19H21Cl2N3O2394.2963 / 2N/AN/A
851945-42-1C19H17N5O5S2459.4959 / 21.7Yes
MLS000118160C20H18N4O3362.3896 / 13.2Yes
CHEMBL518505C23H22BrCl2N3O507.2532 / 17.1No
MLS003123540C21H17FN2O332.3783 / 24.3Yes
3-(2,6-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridineC13H6Cl2F3N3332.1075 / 05.0Yes
CHEMBL215894C37H41Cl3N4O4712.1095 / 35.9No
CHEMBL3920035C22H18F2N4O2408.4096 / 14.1Yes
5-(4-fluorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-oneC18H12FN3O4S2417.4299 / 13.7Yes
CHEMBL361596C33H34F6N4O2632.65111 / 07.2No
CHEMBL3965933C19H20F3N5O391.3988 / 23.1Yes
CHEMBL398099C40H69N11O10864.05912 / 110.0No
CHEMBL599039C26H35N3O405.5862 / 06.7No
CHEMBL1801168C26H25ClN2O2S465.0084 / 3N/AN/A
CHEMBL1801169C26H25ClN2O2S465.0084 / 3N/AN/A
N-METHYLANILINEC7H9N107.1561 / 11.7Yes
CHEMBL2089180C18H16N2260.342 / 04.4Yes
CHEMBL423720C16H18N6294.3625 / 11.7Yes
CHEMBL215292C26H38N4O6502.6127 / 50.1No
CHEMBL488233C12H6F2N2216.1914 / 02.4Yes
AC1MG3LRC18H21NO3299.373 / 02.2Yes
CHEMBL185283C22H26ClN3O2399.9193 / 23.2Yes
NCGC00011100C16H17N5O2311.3456 / 01.5Yes
SCHEMBL17056394C18H19ClN2298.8142 / 05.0Yes
Compound ET-3C65H89N13O15S1324.5618 / 172.7No
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amineC17H17N3O2S327.4026 / 14.1Yes
CHEMBL2110202C25H29N9O2487.5687 / 43.2Yes
CHEMBL3605520C18H20ClN3O3S393.8865 / 22.4Yes
CHEMBL1642849C20H20N4O2S380.4665 / 33.4Yes
MLS001156669C24H24N4O2S432.5425 / 23.9Yes
MLS000058307C21H28N2O5S420.5246 / 13.4Yes
CHEMBL1818796C26H25ClN2O2432.9483 / 15.5No
CHEMBL57287C30H36ClNO11622.06412 / 25.4No
MLS001122448C21H22FNO4371.4086 / 03.5Yes
AcamprosateC5H11NO4S181.2064 / 2-1.2Yes
MLS002179722C22H27NO7S449.5188 / 02.8Yes
N-(2-chlorobenzyl)-N'-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thioureaC21H20ClN3OS397.9213 / 14.3Yes
MLS001043230C16H15F3N4S2384.4395 / 44.3Yes
1-isopropyl-5-oxo-N-(2-phenylethyl)prolinamideC16H22N2O2274.3642 / 11.9Yes
SCHEMBL1993496C31H30ClFN6O3589.0688 / 04.6No
SCHEMBL6919014C20H23FN2O326.4153 / 24.0Yes
331751-89-4C13H11ClN4O2S322.7673 / 21.4Yes
CHEMBL225308C26H33N5O4479.5818 / 22.5Yes
ChemDiv2_006404C18H14N4O3334.3355 / 11.3Yes
CHEMBL22937C32H30F2N4O2540.6156 / 05.3No
CHEMBL428716C22H29N7O6487.51711 / 41.1No
CHEMBL339115C22H31ClN2O4422.954 / 34.6Yes
CHEMBL1209470C15H11FN2O2270.2634 / 12.8Yes
CHEMBL1592113C19H19N3O305.3812 / 13.5Yes
CHEMBL15918C19H18Cl3N5O438.7374 / 14.9Yes
MLS000032565C22H27N3O4397.4756 / 13.0Yes
CHEMBL51798C31H39NO8S2617.77210 / 15.1No
CHEMBL313030C35H41N5O4595.7444 / 47.4No
CHEMBL149691C24H43NO2377.6133 / 36.1No
AC1NLSK4C24H27N3O4S2485.6176 / 03.1Yes
AC1MVU2CC19H27ClFN3O3S431.9516 / 12.7Yes
CHEMBL113757C28H31N5O5S549.64610 / 15.3No
MLS002302717C23H29F3N2O5470.4898 / 13.8Yes
MLS001171581C20H25NO5359.4226 / 31.3Yes
4035-38-5C19H15ClN2O322.7923 / 04.8Yes
MLS000086251C22H22ClN3O2395.8873 / 03.6Yes
CHEMBL3955120C24H24FNO3393.4585 / 25.8No
AC1LP5MHC19H16N2O2S336.4094 / 04.1Yes
CHEMBL3262426C27H32N2O400.5663 / 16.0No
SCHEMBL289923C29H30F2N2O2476.5684 / 16.6No
CHEMBL1775057C47H59N13O9950.07110 / 12-0.8No
CHEMBL1775063C47H59N13O9950.07110 / 12-0.8No
CHEMBL1775064C47H59N13O9950.07110 / 12-0.8No
4-Methoxycinnamic acidC10H10O3178.1873 / 11.8Yes
PD 168368C31H34N6O4554.6515 / 45.2No
SCHEMBL246621C29H29N5O3S527.6438 / 24.1No
AC1MGDO5C21H27N3O4385.4644 / 11.2Yes
SMR000066918C20H13BrN6O2449.2687 / 03.9Yes
CHEMBL330954C20H25ClN4O372.8974 / 14.4Yes
1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-oneC24H24N4O3S448.5415 / 13.2Yes
CHEMBL307065C25H33N3O4439.5565 / 3-0.8Yes
CHEMBL3143278C49H65F2N13O81002.1413 / 101.2No
CHEMBL108289C24H21ClN2O2404.8943 / 05.8No
CHEMBL445384C11H14N6O2S2326.3937 / 3-0.7Yes
CHEMBL3764080C20H24N4O3368.4376 / 11.3Yes
SCHEMBL738884C46H54N6O7802.9739 / 64.3No
MLS001000247C23H27FN2O2382.4794 / 04.2Yes
MLS001072368C23H26N4O374.4883 / 24.1Yes
CHEMBL2036021C17H17N5O307.3574 / 12.5Yes
CHEMBL67757C27H34N4O4478.5936 / 33.5Yes
CHEMBL235717C24H18ClN5O3459.895 / 15.7No
CHEMBL362240C30H36ClN5O2534.1014 / 15.4No
CHEMBL1829483C19H22N4O2338.4115 / 12.3Yes
CHEMBL1173578C21H16ClN5O2S2469.9627 / 04.6Yes
CHEMBL394793C28H38FN3O2467.6294 / 25.0Yes
CHEMBL244369C28H38FN3O2467.6294 / 25.0Yes
CHEMBL122008C23H24FN3O3409.4616 / 14.4Yes
CHEMBL118188C23H24FN3O3409.4616 / 14.4Yes
2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carbolineC25H28N4O400.5263 / 14.1Yes
MLS000775736C29H31N5O5S561.6577 / 2N/ANo
CHEMBL3800558C37H41N5O4619.7667 / 45.7No
CHEMBL274102C25H29N3O387.5273 / 14.7Yes
CHEMBL3815013C25H34N4O2422.5735 / 33.0Yes
CHEMBL222634C28H31N4O2+455.5822 / 23.5Yes
CHEMBL326191C30H40N2O5508.6596 / 12.6No
SMR000095425C19H21N3O5S2435.5137 / 11.5Yes
AC1NMTSXC17H17ClN4S344.8615 / 04.1Yes
CHEMBL465640C17H11F3N4328.2986 / 14.0Yes
CHEMBL585385C27H26Cl2N2O7S593.4728 / 35.2No
MLS000588039C7H12N6O3228.2128 / 40.7Yes
BDBM85526C18H22IN7O4527.32310 / 61.2No
MLS000756899C14H13N3O3271.2764 / 21.3Yes
CHEMBL158974C33H57IN2O6704.7317 / 0N/ANo
MLS002182684C16H21FN2O3308.3534 / 10.6Yes
CHEMBL1836792C24H24F4N2O432.4636 / 14.8Yes
5-chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methoxybenzenesulfonamideC16H16ClN3O4S381.8315 / 12.1Yes
MLS001001560C11H8ClFN4250.6615 / 12.8Yes
ASN 03068560C19H19N5O2S2413.5147 / 13.7Yes
CHEMBL3910626C28H33N5O2471.6057 / 14.6Yes
AC1M7Z8SC15H14N4O5S362.366 / 40.7Yes
SCHEMBL4089524C28H36N2O416.6093 / 05.8No
MLS002159398C21H24FN3O5S449.4978 / 12.2Yes
SMR001835103C21H16BrClN2411.7271 / 07.1No
SMR000131154C18H23N3O4S377.4595 / 21.1Yes
CHEMBL578580C16H12FN3OS313.355 / 03.0Yes
ASN 04935550C22H29N5O379.5085 / 03.6Yes
MLS001116875C18H20N2O3S2376.4895 / 23.3Yes
CHEMBL603991C19H24N6O4400.4399 / 51.7Yes
1-(4-Bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineC17H18BrNO2348.243 / 13.7Yes
CHEMBL3717630C29H25FN4O5S2592.6611 / 06.0No
AC1MDGAWC21H19F4N3OS437.4577 / 14.7Yes
SCHEMBL1278876C23H28N2O5S444.5466 / 22.7Yes
CHEMBL3987046C21H18F6N2O2444.3778 / 14.3Yes
CHEMBL11311C21H27NO2325.4523 / 04.6Yes
2-{[(4-methoxyphenyl)acetyl]amino}-N-(2-phenylethyl)benzamideC24H24N2O3388.4673 / 24.4Yes
CHEMBL3901887C28H27F2NO4479.5246 / 14.8Yes
CHEMBL375288C24H20Cl2N4O3483.3496 / 25.4No
SCHEMBL16211797C18H21ClN6S388.9186 / 03.9Yes
CHEMBL2347042C21H21Cl3N2407.7631 / 08.3No
MLS001071849C25H28FN3O4S485.5747 / 23.7Yes
SMR000194526C29H25N5O2475.5524 / 15.1No
SCHEMBL15507271C23H28FN3O4429.4926 / 03.5Yes
CHEMBL3963533C23H28FN3O4429.4926 / 03.5Yes
CHEMBL3894640C23H28FN3O4429.4926 / 03.5Yes
SCHEMBL15507270C23H28FN3O4429.4926 / 03.5Yes
SMR000037766C20H20N4O2S380.4665 / 03.1Yes
CHEMBL282255C26H26ClN3OS464.0244 / 05.4No
CHEMBL21150C26H26ClN3OS464.0244 / 05.4No
MLS002182565C20H17NO3S351.424 / 04.3Yes
MLS001082499C21H21ClFNO4405.855 / 03.9Yes
aloinC21H22O9418.3989 / 7-0.1No
4-Chloro-1-methyl-3-(2-nitro-phenyl)-1H-quinolin-2-oneC16H11ClN2O3314.7253 / 03.3Yes
CHEMBL3582322C25H20FN9O2497.4948 / 41.5Yes
CHEMBL3894891C29H33F6N3O2569.5929 / 16.0No
CHEMBL2048627C30H34FNO6S555.6618 / 34.6No
2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanateC14H19NOS249.3723 / 03.7Yes
AC1MXOTYC17H17NO2267.3282 / 03.3Yes
CHEMBL2314289C18H15ClN2O3342.7794 / 13.1Yes
CHEMBL457014C18H20N4O5372.3815 / 22.9Yes
CHEMBL1514877C19H17F3N4O3S2470.48510 / 03.0Yes
N-cyclohexyl-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamideC18H20N4O2324.3843 / 12.0Yes
CHEMBL1689125C23H27ClN2O4430.9295 / 11.4Yes
GNF-Pf-4280C17H20ClN3301.8182 / 0N/AN/A
SMR000029149C25H30N4O4S482.5996 / 14.4Yes
CHEMBL354871C14H16BrN3306.2073 / 04.1Yes
MLS002276465C20H15ClN4346.8184 / 14.5Yes
CHEMBL2181755C22H23ClFNO4419.8775 / 14.8Yes
SMR000142584C24H26N2O7S486.5398 / 03.8Yes
SMR000094562C23H26N4O2S422.5476 / 03.6Yes
CHEMBL1434829C23H25NS347.522 / 05.9No
Bromoacetylcholine bromideC7H15Br2NO2305.013 / 0N/AN/A
MLS000419322C20H23N3OS353.4842 / 34.3Yes
CHEMBL3401608C20H19ClN2O3370.8333 / 24.9Yes
CHEMBL55853C25H19NO6429.4286 / 14.3Yes
CHEMBL1553510C23H27N3O3S2457.6076 / 04.5Yes
MLS000687987C21H25NO5S403.4936 / 03.6Yes
CHEMBL475129C26H32N4O4464.5664 / 12.6Yes
SMR000149143C19H24N4O3356.4265 / 01.3Yes
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamideC20H20N4O6S444.4629 / 11.4Yes
CID 56595575C24H28N4O2404.5144 / 02.7Yes
N-(5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamideC20H18N4O2S2410.516 / 13.9Yes
MLS000594990C16H16N4O2296.335 / 14.0Yes
8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl 2-(4-methyl-1-piperazinyl)ethyl etherC22H29ClN2O4S2485.0547 / 1N/AN/A
AC1LTJH2C16H12ClFN4O2346.7466 / 14.5Yes
MLS000536709C14H13NO2227.2632 / 12.8Yes
CHEMBL2316259C25H34N2O2S426.6194 / 16.4No
CHEMBL2152367C17H21NO3287.3593 / 12.6Yes
N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamideC13H16N2O2S264.3434 / 13.4Yes
MLS003315736C25H28F3N7O2515.5419 / 14.3No
BRN 4827823C24H31N3O3409.534 / 13.8Yes
CHEMBL2010830C24H29F3N2O3S482.5627 / 03.9Yes
MLS000072923C24H24N6O3444.4956 / 20.7Yes
2-(hydroxymethyl)-2-(octylamino)propane-1,3-diolC12H27NO3233.3524 / 41.0Yes
MLS000567618C9H9ClN6236.6635 / 31.9Yes
CHEMBL75597C21H26N4O2366.4653 / 04.0Yes
CHEMBL3718030C24H22ClF4N5O3539.91612 / 2N/ANo
CHEMBL1688085C26H31FN4O434.5594 / 25.3No
NCGC00090177-01C24H29FN8448.557 / 03.0Yes
CHEMBL1779914C17H15NO2S297.3723 / 14.3Yes
MLS002170164C20H24N2O3S372.4834 / 13.0Yes
CHEMBL278805C22H22Cl2N8O3S549.4319 / 12.7No
CHEMBL3704567C19H18ClN3O5403.8197 / 32.2Yes
nafarelin 6NMe2NalC67H85N17O131336.5215 / 151.0No
MolPort-000-713-877C11H16ClN5253.7344 / 1N/AN/A
CHEMBL247949C21H27N2O2+339.4592 / 13.0Yes
MLS003674796C34H44N2O6576.7346 / 15.0No
CHEMBL1915014C17H17ClN2O3332.7844 / 14.3Yes
CHEMBL202638C12H23N3209.3372 / 22.0Yes
CHEMBL25984C15H23NO233.3552 / 03.8Yes
MLS002181866C17H15ClF3NO2357.7575 / 04.9Yes
CHEMBL570521C21H15Cl3N4O3S2541.8467 / 26.0No
2-(4-nitrophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanoneC18H18N4O5370.3656 / 02.6Yes
CHEMBL205964C33H46Cl2N4O4S665.7156 / 15.6No
ethyl 6-methyl-2-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylateC16H20N4O3S3412.5419 / 13.2Yes
CHEMBL418160C27H32ClFN4O483.0283 / 15.1No
AC1MVNDHC24H34N2O3398.5475 / 14.4Yes
MLS000082261C15H27N3O3S329.4596 / 13.7Yes
CHEMBL3578011C87H143N29O201915.2825 / 31-2.9No
AC1MSFM1C14H12N2O4272.264 / 02.5Yes
CHEMBL432972C18H20N4292.3864 / 02.4Yes
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideC17H19NO2S301.4043 / 14.0Yes
CHEMBL446264C8H10BrN5256.1074 / 11.4Yes
CHEMBL3930814C35H50F3N5O2629.8138 / 37.5No
MLS000758880C24H32N4OS424.6074 / 14.8Yes
SCHEMBL17077170C30H21F3N6O2S2618.65311 / 37.5No
2-(ethylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrileC11H15N3O205.2614 / 11.9Yes
CHEMBL301475C25H26F3N3O4S521.5558 / 24.8No
CHEMBL1783868C20H18N4OS362.4515 / 14.7Yes
MLS000682971C22H18O7394.3797 / 14.2Yes
CHEMBL412023C32H43Cl2N5O3616.6285 / 25.0No
AC1M1VJBC27H27N3O4S2521.656 / 24.0No
2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydro-5H-1-benzazepin-5-oneC23H18N4O366.4244 / 13.9Yes
CHEMBL387331C21H20F2N2O4402.3986 / 22.4Yes
MLS001223988C22H28N2O4S416.5365 / 13.5Yes
SMR000105621C24H22N4O3414.4654 / 25.0Yes
CHEMBL116233C25H28N2O5436.5086 / 3N/AN/A
CHEMBL2381791C29H36N4O2472.6334 / 16.4No
MLS001075361C28H30N4O6518.577 / 23.6No
AC1MOWTYC24H27N3O6S485.5558 / 12.2Yes
MLS000094230C16H12N4O2292.2984 / 11.0Yes
CHEMBL574712C20H28N2296.4582 / 03.8Yes
BDBM50052395C14H21NO5283.3246 / 00.8Yes
CHEMBL104135C15H25NS251.4322 / 04.4Yes
SCHEMBL4532006C21H23N5O3393.4476 / 02.0Yes
SMR000628379C25H31N3O4S469.65 / 13.0Yes
CHEMBL1357775C20H20N6O2376.426 / 33.0Yes
CHEMBL57680C19H13FN2O6S416.3797 / 21.4Yes
MLS002158304C25H24N4O3428.4924 / 14.0Yes
CHEMBL3658335C22H16BrFN2O3S487.3436 / 14.7Yes
CHEMBL181582C27H25N3O4455.5145 / 13.1Yes
AC1M7GFKC16H16Cl2N2OS355.2772 / 14.4Yes
MLS001164916C19H18FN3307.3724 / 14.9Yes
SMR000079324C18H18N4O4S2418.4869 / 13.6Yes
CHEMBL1684686C22H37N3O3391.5564 / 11.7Yes
CHEMBL1489489C20H21NO4339.3914 / 03.4Yes
CHEMBL250978C27H32N2O7S528.629 / 42.5No
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamideC15H17NO2S275.3663 / 03.4Yes
SCHEMBL673266C29H33N3O5S535.6598 / 13.0No
CHEMBL3719349C27H19N5O4S509.549 / 05.0No
CHEMBL65846C18H16N2O3308.3374 / 11.7Yes
AC1NSHH2C21H16BrN3O4454.286 / 14.2Yes
CHEMBL1331538C27H26N2O6474.5136 / 25.5No
AC1O15VGC22H20N2O4376.4125 / 14.1Yes
CHEMBL1379097C22H20N4O3S2452.5478 / 24.3Yes
CHEMBL351654C26H23N3O2409.4892 / 24.7Yes
CHEMBL3759532C32H35FN2O6562.6387 / 35.8No
CHEMBL377969C18H17BrN4O2401.2643 / 22.1Yes
CHEMBL155877C28H27ClN8OS559.0897 / 25.8No
CHEMBL1784932C40H56N6O5S732.9859 / 16.5No
MLS000116407C14H14F2N2O2280.2755 / 13.4Yes
CHEMBL12183C33H56N3O5S+606.8876 / 19.2No
SMR000146925C23H23N3O2373.4563 / 04.0Yes
CHEMBL398996C28H35N3O7S557.6628 / 1N/ANo
1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazineC20H24N2O2324.4244 / 03.9Yes
4-(butyrylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamideC18H16ClF3N2O2384.7835 / 24.3Yes
CHEMBL480601C21H28F3N3O3S459.5289 / 13.3Yes
CHEMBL1440411C30H29N5O3507.5945 / 34.8No
ASN 04936109C17H16FN3O2S2377.4527 / 03.6Yes
CHEMBL150228C28H32N2O3444.5754 / 35.8No
CHEMBL342195C32H32N4O4536.6325 / 24.5No
Butanedioic acid, compd. with 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole (1:1)C18H22N2O5346.3836 / 4N/AN/A
MLS003675120C25H20BrCl2NO4S581.3025 / 16.5No
CHEMBL2371782C24H30N4O5454.5276 / 50.4Yes
CHEMBL433951C24H30N4O5454.5276 / 50.4Yes
CHEMBL3797365C26H34N4O6498.589 / 33.2Yes
CHEMBL232543C31H25ClN2O4S557.0614 / 16.9No
MLS000076513C27H34N2O7498.5768 / 2N/AN/A
sulconazoleC18H15Cl3N2S397.7422 / 06.1No
494221-32-8C16H14N4262.3164 / 13.3Yes
CID 46231597C19H16N2O3S352.4085 / 14.0Yes
898441-50-4C25H26N2O4418.4935 / 13.7Yes
CHEMBL123669C20H19ClN4O366.8494 / 05.4No
BIMU-8C19H26N4O2342.4433 / 12.5Yes
CHEMBL59834C19H26N4O2342.4433 / 12.5Yes
3-acetyl-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinoneC20H17NO3319.363 / 13.3Yes
talipexole hydrochlorideC10H16ClN3S245.7694 / 2N/AN/A
CHEMBL101957C28H30N4O438.5754 / 13.5Yes
CHEMBL384813C51H68IN13O10S21214.2114 / 140.9No
CHEMBL3927763C28H27F2NO4479.5246 / 14.8Yes
AC1M7COIC16H22F2N2OS328.4225 / 14.4Yes
CHEMBL537632C20H31N3O2345.4874 / 43.2Yes
MorusinolC25H26O7438.4767 / 44.1Yes
SCHEMBL6972355C16H20N2O4S336.4066 / 3N/AN/A
CHEMBL11134C24H25N3355.4852 / 24.7Yes
CHEMBL574701C21H17N7O5447.41110 / 22.2Yes
CHEMBL22355C21H17N7O5447.41110 / 22.2Yes
CHEMBL2048166C17H16N2O2S312.3874 / 13.8Yes
7-bromo-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-oneC22H15BrF2N2O2457.2754 / 14.4Yes
CHEMBL132408C27H24N8O476.5446 / 14.7Yes
MLS001116776C23H27N3O5S457.5456 / 11.9Yes
MLS000586810C22H27NO3S385.5224 / 14.4Yes
CHEMBL576709C15H14F2N2O276.2875 / 02.8Yes
SMR000072917C25H22N4O3S458.5366 / 14.8Yes
1-(2-ethylphenyl)-4-[(4-fluoro-3-methylphenyl)sulfonyl]piperazineC19H23FN2O2S362.4635 / 03.9Yes
MLS000056039C18H21NO3S331.434 / 03.6Yes
CHEMBL1082391C19H19N3O4353.3786 / 12.1Yes
CHEMBL3704932C23H22F4N6O474.46410 / 14.0Yes
CHEMBL3976863C29H32FN3O6S569.64810 / 24.6No
CHEMBL1316240C26H26N2O382.5071 / 15.5No
CHEMBL1403669C25H28N2O5436.5085 / 14.3Yes
CHEMBL56115C24H19NOS369.4823 / 16.8No
CHEMBL523330C24H31N3O3S441.594 / 14.2Yes
CHEMBL350697C27H26N4O3S2518.657 / 25.2No
MLS003115819C17H17Cl2N5O2394.2567 / 4N/AN/A
MLS000877256C18H19N5O3353.3827 / 22.1Yes
N-{4,5-dimethyl-3-[(4-methylpiperazin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamideC22H26N4O2S410.5366 / 13.2Yes
CHEMBL1086514C27H27N3O409.5334 / 05.0Yes
5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(2-thienyl)-4-(trifluoromethyl)pyrimidineC16H8ClF3N6S408.7879 / 04.1Yes
CHEMBL3951108C26H35N5O2449.5995 / 23.2Yes
CHEMBL3976686C25H26F6N2O3516.4849 / 24.7No
CHEMBL3087709C23H17N5O2395.4225 / 13.6Yes
CHEMBL117973C18H40NO3P349.4964 / 33.3Yes
ethyl N-{[cyclopentyl(thien-2-ylmethyl)amino]carbonothioyl}glycinateC15H22N2O2S2326.4734 / 12.9Yes
CHEMBL2322885C21H24Cl2F3N5O3522.358 / 03.5No
MLS001079362C20H25NO5359.4225 / 04.1Yes
CHEMBL604522C21H25NO4355.4345 / 12.1Yes
MLS000770187C20H22ClFN2O7456.8519 / 3N/AN/A
4-methyl-2-(4-phenylpiperazin-1-yl)quinolineC20H21N3303.4093 / 04.6Yes
CHEMBL365803C35H40N6O5624.7426 / 72.6No
CHEMBL364010C35H40N6O5624.7426 / 72.6No
(6R,7S,7aR)-2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acidC17H16ClNO6365.7666 / 10.9Yes
MLS001199377C19H24N2O2312.4132 / 23.5Yes
CHEMBL3923733C23H27N5O3S453.5615 / 22.6Yes
N-acetyl-N-(6,7-dimethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamideC14H15N3O5S337.356 / 10.6Yes
CHEMBL3809148C32H36FN5O3557.676 / 24.1No
CHEMBL229792C27H36ClN3O454.0553 / 05.1No
76149-15-0C16H24N2244.3821 / 14.1Yes
CHEMBL1360022C23H26N4O3S438.5467 / 14.2Yes
VUF-5649C12H17ClN2S256.7922 / 13.7Yes
CHEMBL2403653C18H19N3O2S2373.4896 / 02.6Yes
CHEMBL2370559C67H85N17O131336.5215 / 151.0No
UNM000003539401C23H15F3O7460.36110 / 04.8Yes
N-cycloheptyl-2-(2-methoxy-4-methylphenoxy)acetamideC17H25NO3291.3913 / 13.9Yes
CHEMBL295689C13H16N4O244.2985 / 01.2Yes
AC1LRTXJC21H20BrN3O2426.3143 / 13.8Yes
MLS001149189C16H23N5O3S365.4527 / 32.5Yes
MLS000037143C10H10F6N2O2304.19210 / 22.7Yes
CHEMBL2377264C19H29NO2S335.5064 / 04.8Yes
CHEMBL491419C28H33N3O4475.5897 / 04.0Yes
CHEMBL224166C17H21N5295.393 / 32.4Yes
4-(2,4-dimethylphenyl)-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiolC15H15N3S2301.4263 / 13.6Yes
1,3-dimethyl-6-[(3-methylbutyl)amino]pyrimidine-2,4(1H,3H)-dioneC11H19N3O2225.2923 / 11.3Yes
ASN 06118458C24H20N6O408.4655 / 03.4Yes
N-(4-methylphenyl)-4-[(pyridin-2-ylsulfanyl)methyl]benzamideC20H18N2OS334.4373 / 14.4Yes
CHEMBL2071068C24H28ClN3O2425.9573 / 34.7Yes
CHEMBL3935833C20H31N5O4405.4997 / 10.7Yes
SCHEMBL18548029C27H23Cl2F3N4O3S611.4619 / 06.8No
CHEMBL261594C31H36N2O3484.645 / 06.1No
CHEMBL2147922C25H24ClF3N2O2476.9247 / 3N/AN/A
VU0402472-1C17H16ClN3OS345.8454 / 24.6Yes
ellagic acidC14H6O8302.1948 / 41.1Yes
6-(4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-oneC16H11N3O3293.2824 / 21.6Yes
CHEMBL1629856C25H22F3N3O437.4666 / 15.5No
5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acidC14H7F4N3O2325.2238 / 12.9Yes
CHEMBL3235258C23H23N5O2401.475 / 13.0Yes
CHEMBL554206C30H28Cl3N5O4628.9356 / 3N/ANo
CHEMBL574490C19H13Cl2N7O2442.266 / 13.2Yes
CHEMBL72243C25H33N7O2463.5866 / 32.1Yes
CHEMBL3735911C29H35NO5477.6016 / 06.2No
AC1N4RARC17H16N2OS296.3883 / 04.1Yes
MLS000553377C19H14N4O2330.3474 / 13.7Yes
CHEMBL298759C21H25BrN2O2417.3473 / 14.6Yes
CHEMBL50517C21H25BrN2O2417.3473 / 14.6Yes
SMR000046751C23H23N5O3417.4695 / 13.8Yes
CHEMBL3561833C22H25FN2O3S416.5115 / 03.9Yes
CHEMBL2315925C24H27F3N6O2S520.57511 / 33.4No
CHEMBL1554845C16H17ClN4O3348.7874 / 12.8Yes
MLS000062730C17H17N3O2295.3424 / 12.9Yes
CHEMBL507198C24H25FN2O3408.4734 / 24.6Yes
SMR000076915C20H28N2O5376.4536 / 30.5Yes
MLS001008228C24H33NO3383.5324 / 23.5Yes
CHEMBL3315219C26H26N2O3414.5053 / 25.6No
CHEMBL3315199C26H26N2O3414.5053 / 25.6No
CHEMBL230943C27H31N3O2429.5643 / 14.1Yes
CHEMBL369102C25H31N3O389.5433 / 04.8Yes
CHEMBL2172461C11H20N2O4244.2915 / 20.4Yes
SMR000143662C17H22N4O298.394 / 24.0Yes
CHEMBL60270C17H24N2O272.3923 / 22.7Yes
CHEMBL558725C26H31BrClN3O516.9084 / 18.6No
CHEMBL211301C13H19NO3237.2994 / 11.3Yes
CHEMBL379780C13H19NO3237.2994 / 11.3Yes
CHEMBL211309C13H19NO3237.2994 / 11.3Yes
CHEMBL1080694C18H16ClFN2O2S378.8464 / 13.2Yes
CHEMBL24293C25H27N3369.5123 / 04.5Yes
UR-AK59C16H27N5O305.4263 / 33.1Yes
CHEMBL1773264C42H57N3O6S731.9939 / 57.2No
CHEMBL538977C23H26N4O3406.4866 / 04.5Yes
CHEMBL3765273C19H23ClN4O358.874 / 12.7Yes
H-Tyr-Tic-Cha-Phe-OHC37H44N4O6640.7817 / 53.1No
CHEMBL2371935C37H44N4O6640.7817 / 53.1No
SMR000198807C24H22N2O6434.4486 / 33.5Yes
CHEMBL338391C25H24N4O3428.4925 / 14.4Yes
MLS002170511C24H29ClN4O2440.9724 / 23.6Yes
(2S,3S)-2-(carbamoylamino)-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamideC14H20ClN3O3313.7823 / 32.3Yes
CHEMBL610386C13H19N5O5325.3259 / 5-0.2Yes
CHEMBL1076717C31H39F2N3O3539.6687 / 06.1No
CHEMBL1081442C31H39F2N3O3539.6687 / 06.1No
CHEMBL575161C25H20N2O4S444.5055 / 35.5No
CHEMBL1571741C19H19N3O2S353.444 / 23.8Yes
CHEMBL1771432C19H17F3N4O374.3676 / 23.8Yes
Pyridopyrazine, 3bC23H34N4O3414.557 / 14.2Yes
SCHEMBL17938377C32H30N4O4S566.6765 / 15.4No
CID 44417700C24H26ClNO4427.9255 / 1N/AN/A
CHEMBL215151C24H26ClNO4427.9255 / 2N/AN/A
CHEMBL497604C24H26N4O2402.4985 / 14.0Yes
MLS002158500C22H31N3O5417.5065 / 22.7Yes
CHEMBL575605C31H25N7O2527.5886 / 15.4No
MLS000684948C22H27ClN4O5S2527.0519 / 1N/ANo
{2-[2-(4-Chloro-phenyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl esterC15H15ClN2O3S338.8065 / 12.9Yes
SMR000195310C19H21NO279.3831 / 14.3Yes
CHEMBL70059C27H40N8O5556.6688 / 52.2No
CHEMBL553037C27H40N8O5556.6688 / 52.2No
CHEMBL118582C42H44F3N5O7787.83710 / 66.7No
CHEMBL140383C37H35N3O3569.7054 / 26.9No
CHEMBL365021C22H25N3O5S2475.5789 / 24.8Yes
CHEMBL1086325C18H21NO3S331.434 / 12.7Yes
MLS001043278C25H14O7426.387 / 23.6Yes
N-[4-({3-[methyl(phenyl)sulfamoyl]phenyl}sulfamoyl)phenyl]acetamideC21H21N3O5S2459.5357 / 22.3Yes
MLS000517369C17H15Cl2N5O2S424.34 / 33.7Yes
SCHEMBL2012413C24H36O4388.5484 / 25.1No
N-(benzoyloxy)-N-{[5-[(2-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylene}amineC20H15ClF3N3O2S453.8648 / 05.6No
SMR000068604C23H17N5O2S427.4828 / 04.7Yes
CHEMBL1767415C9H15N3O11P2403.17711 / 6-4.5No
8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-4-methyl-3-phenyl-2H-chromen-2-oneC23H26N2O3378.4725 / 13.1Yes
alpha-cyano-4-hydroxycinnamic acidC10H7NO3189.174 / 21.4Yes
MLS000733195C22H26F2N4384.4755 / 13.9Yes
MLS000070745C24H34N4O2410.5623 / 23.2Yes
(3,3-dimethylaziridin-2-yl)-phenylmethanolC11H15NO177.2472 / 21.1Yes
ASN 07615442C23H27N3O2377.4884 / 14.3Yes
AC1M5UXQC24H24N2O6S468.5247 / 13.7Yes
AC1LP5VOC19H14N2O7382.3287 / 11.9Yes
CHEMBL285712C24H25FN2O376.4753 / 14.7Yes
MLS000544236C14H16ClN7O4381.7779 / 11.8Yes
CHEMBL430124C20H27NO4S377.4995 / 22.4Yes
SCHEMBL16945023C22H26FN5O395.4827 / 14.4Yes
CHEMBL3797876C17H21NO5319.3576 / 41.6Yes
CHEMBL3799593C17H21NO5319.3576 / 41.6Yes
AC1P0NOYC17H15N3O2S325.3865 / 13.1Yes
UNII-4MC625LVIDC21H29NO2327.4682 / 14.1Yes
SCHEMBL2017314C48H43Cl2N3O7844.7869 / 27.3No
AC1OBZVMC19H18N8O3S438.46610 / 22.8Yes
CHEMBL3392290C27H41N3O6503.649 / 4N/ANo
CHEMBL2207521C21H20N2O5380.46 / 13.6Yes
CHEMBL495161C25H30N4O2418.5415 / 13.1Yes
CHEMBL2069579C25H22N4O3S458.5367 / 31.1Yes
CHEMBL24480C10H22N2O2202.2984 / 20.5Yes
CHEMBL599323C21H27NO4357.455 / 22.3Yes
CHEMBL373535C16H17N3O267.3323 / 11.9Yes
CHEMBL131587C16H25N3S291.4574 / 03.2Yes
CHEMBL9082C25H29NO6439.5087 / 11.5Yes
AC1NOABTC20H28N2O3344.4553 / 02.1Yes
1-Benzyl-4-(isopropylamino)piperidine-4-carbonitrileC16H23N3257.3813 / 12.3Yes
CHEMBL454919C32H36Cl2N2519.5542 / 08.4No
CHEMBL2304007C33H44N6O7636.757 / 62.7No
AC1LDGVCC11H10F3N5O285.239 / 22.4Yes
SMR001277470C20H15FN2O2S366.415 / 14.0Yes
CHEMBL3883921C30H36N4O2S516.7045 / 05.4No
MLS003674223C28H23N3O5481.5086 / 14.5Yes
SMR000023652C21H18N2O2330.3873 / 03.6Yes
MLS000833566C19H19F3N4O3408.3817 / 13.8Yes
ASN 06941687C19H18ClN3O3371.8215 / 03.7Yes
SMR000066633C16H14N2O4S3394.4788 / 13.5Yes
SMR000154711C23H22N2O4S422.4996 / 13.3Yes
CHEMBL3262652C20H18ClF3N6O450.858 / 13.2Yes
AC1NO6UMC20H25ClN6OS432.9715 / 24.3Yes
CHEMBL79201C14H14N6OS314.3676 / 21.2Yes
MLS003116585C22H26N4O2S410.5366 / 12.5Yes
CHEMBL3949905C26H28N4O2428.5366 / 05.1No
SMR000196675C22H24N2O2S2412.5665 / 05.6No
SMR000196568C18H16BrNO4S422.2935 / 03.5Yes
3-benzyl-6-ethyl-6-methyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-oneC19H20N2O2S2372.5014 / 13.6Yes
MLS001090541C25H31N5O417.5574 / 04.5Yes
AC1MFBCDC20H17Cl2N3O4S466.3336 / 13.9Yes
CHEMBL135011C16H23NO2261.3653 / 23.4Yes
CHEMBL208352C24H25ClN2O3424.9255 / 34.4Yes
CHEMBL3883429C22H23Cl2N5O2460.3596 / 03.9Yes
CHEMBL3125715C22H29N5O2395.5076 / 33.1Yes
4-(4-fluorophenyl)piperidineC11H14FN179.2382 / 12.1Yes
AC1MDGXBC13H14N2O3246.2664 / 12.0Yes
ASN 04754779C16H20N2O3S320.4075 / 03.4Yes
CHEMBL1258493C24H31N5O2S453.6057 / 04.0Yes
CHEMBL2159474C16H17Cl3N2O3S2455.7936 / 15.0Yes
AC1LRE97C12H10N4O2242.2383 / 11.8Yes
CHEMBL269457C25H29ClFNO6S526.0168 / 24.4No
1-{3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}pyrrolidin-2-oneC21H23N3O2349.4343 / 02.4Yes
CHEMBL95112C23H27FN2O2S414.5396 / 03.4Yes
AC1O13FJC19H14ClN3O2S3447.976 / 16.5No
AC1M4V3VC9H5BrClF3N2O329.5016 / 14.2Yes
SCHEMBL17334231C20H18F2N4O368.3885 / 13.4Yes
CHEMBL113432C39H50N4O2606.8554 / 36.7No
CHEMBL402017C34H48ClN5O3610.246 / 24.3No
SMR000019512C15H8ClNO3S2349.8035 / 03.9Yes
MLS000724783C18H18ClF2N3O2S2445.9286 / 14.1Yes
2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridineC14H11BrN2287.161 / 04.5Yes
diethyl (4-bromobenzylidene)malonateC14H15BrO4327.1744 / 04.0Yes
CHEMBL1915345C16H18ClN3O303.792 / 12.6Yes
CHEMBL1903799C16H12ClN5309.7574 / 14.7Yes
(4-methylphenyl)[4-(phenylsulfonyl)piperazin-1-yl]methanoneC18H20N2O3S344.4294 / 02.4Yes
CHEMBL351183C18H24N4O2S360.4766 / 32.1Yes
CHEMBL593613C21H26N4O350.4664 / 14.5Yes
CHEMBL1779411C32H30ClN3O6S620.1178 / 05.6No
MLS001235461C20H19FN4O3S414.4556 / 32.7Yes
AC1M12OYC18H14FN5OS2399.4628 / 12.8Yes
BAS 07100584C17H18N4O294.3585 / 03.7Yes
arylpyrazole, 13C22H22Cl3N3434.7892 / 16.5No
SMR000008535C21H21N3O3S2427.5376 / 04.0Yes
8-methyl-4-(morpholin-4-yl)-5H-pyrimido[5,4-b]indoleC15H16N4O268.324 / 12.2Yes
MLS003122188C24H21N3O2S415.5114 / 13.9Yes
63070-43-9C16H18N2O254.3331 / 23.2Yes
ethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylateC14H12F3NO2S315.317 / 14.5Yes
AC1LEYSMC18H17NO263.342 / 03.4Yes
CHEMBL3920547C30H27NO4465.5494 / 16.2No
MLS001142717C25H26N4O3430.5083 / 23.0Yes
CHEMBL1434326C26H29N5O2S475.6116 / 14.2Yes
120-78-5C14H8N2S4332.4726 / 05.6No
CHEMBL46870C32H44NO6PS601.7397 / 09.6No
CHEMBL10860C28H21NO6467.4777 / 14.3Yes
CHEMBL1765500C28H28F6N4O550.54910 / 05.9No
SCHEMBL1278959C17H19N5O2S357.4325 / 22.2Yes
SMR000555632C26H34N2O8502.56410 / 21.9No
CHEMBL29102C33H43NO6549.7087 / 14.2No
CHEMBL457514C24H33N3O2395.5475 / 13.1Yes
CHEMBL356373C17H24N4284.4074 / 13.1Yes
SCHEMBL4888322C28H28F2N4O3506.5547 / 14.9No
SCHEMBL16463647C23H21ClN6O3464.917 / 04.3Yes
MLS000535964C21H15F3N4OS428.4337 / 15.0Yes
3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amineC14H12BrNOS322.223 / 14.5Yes
MoperoneC22H26FNO2355.4534 / 13.0Yes
CHEMBL243020C19H21N3O2323.3962 / 32.7Yes
NCGC00010669C17H12N4O2S336.3696 / 02.6Yes
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-propionamideC16H20N2O3S320.4075 / 03.1Yes
AC1NP1QCC26H29N5O4S507.6098 / 14.8No
CHEMBL282168C34H31N7O3585.6687 / 15.2No
CHEMBL1202520C26H31N5O2445.5676 / 01.9Yes
632621-53-5C25H21NO3383.4473 / 15.4No
CHEMBL404991C68H91ClN16O151408.0216 / 160.5No
CHEMBL2371556C68H91ClN16O151408.0216 / 160.5No
1-(2-furylmethyl)-2-imino-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-oneC23H18N4O4S446.4816 / 12.0Yes
CHEMBL2334770C35H38N6O5622.7266 / 62.3No
CHEMBL2334768C35H38N6O5622.7266 / 62.3No
CHEMBL2113144C33H37ClN4O2557.1354 / 25.8No
CHEMBL3182872C18H18F3N3O5S445.41310 / 2N/AN/A
CHEMBL3596492C28H27F3N2O464.5326 / 06.1No
CHEMBL158576C33H46N2O4534.7416 / 13.8No
1-benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]ureaC13H14F6N2O328.2587 / 23.9Yes
CHEMBL3113839C23H29N3O5S459.5617 / 03.4Yes
N-(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)-N-(2,4-dichlorobenzyl)amineC19H16Cl3N3OS440.7675 / 15.1No
AC1M7E9LC16H14Cl2N2O4369.1984 / 12.3Yes
CHEMBL480619C21H31N3325.52 / 05.0Yes
CHEMBL2113245C23H20Cl2N2O5475.3226 / 14.2Yes
871266-83-0C11H6ClN5O2S307.7127 / 13.7Yes
cid_654562C19H20N4O2S368.4556 / 12.6Yes
CHEMBL228582C18H21ClN4O4392.845 / 42.0Yes
2-(2-phenyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamideC18H13F3N2OS362.376 / 14.3Yes
CHEMBL292856C28H36N8O3532.6496 / 43.5No
SMR000130741C18H21ClN2O2S364.8884 / 14.1Yes
6060-00-0C26H19N5O3449.475 / 02.9Yes
N'-methyl-N'-[2-(methylsulfanyl)-4-quinazolinyl]benzenecarbohydrazideC17H16N4OS324.4025 / 14.0Yes
MLS000734064C21H29N3O2355.4824 / 02.7Yes
MLS000091453C20H22N2O3S370.4675 / 03.8Yes
7,7-Dimethyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-thiazolo[5,4-c]azepin-4-oneC13H19N3O2S281.3745 / 11.9Yes
lipoic acidC8H14O2S2206.3184 / 11.7Yes
dl-Thioctic acidC8H14O2S2206.3184 / 11.7Yes
1077-27-6C8H14O2S2206.3184 / 11.7Yes
CHEMBL3981960C32H40F2N4O4582.6937 / 44.8No
CHEMBL3984464C32H40F2N4O4582.6937 / 44.8No
N-[(4-methylphenyl)methyl]-4-(phenoxymethyl)benzamideC22H21NO2331.4152 / 14.1Yes
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamideC18H17N3OS2355.4744 / 24.9Yes
SCHEMBL805697C27H24F2N2O3462.4975 / 25.3No
CHEMBL3353830C21H19N5S373.4785 / 04.3Yes
CHEMBL3659205C25H24N6O2440.5076 / 04.0Yes
MLS000045863C19H16FN3O2337.3544 / 12.7Yes
MLS003123447C19H19FN2O310.3723 / 24.0Yes
MLS002694516C18H17ClN2O2S360.8564 / 04.0Yes
CHEMBL50546C34H38FN5O2567.7097 / 06.3No
ethyl 2-methyl-4-[(3-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylateC21H22N2O3350.4184 / 14.2Yes
CHEMBL1823359C36H37N5O2571.7255 / 16.0No
6-Phenoxybenzo[d]thiazol-2-amineC13H10N2OS242.2964 / 14.0Yes
MLS001110561C23H31N5O2409.5344 / 12.8Yes
CHEMBL27376C20H20ClIN6O3554.7737 / 42.0No
CHEMBL133387C20H20ClIN6O3554.7737 / 42.0No
CHEMBL376778C20H19N3O317.3923 / 14.1Yes
CHEMBL503059C39H66N12O8831.03311 / 10-2.3No
CHEMBL48366C14H13ClN2244.7222 / 03.1Yes
CHEMBL1729017C16H23N3OS305.445 / 14.1Yes
CHEMBL1524901C24H23FN4O3434.4716 / 03.7Yes
CHEMBL3664787C24H25N3O2S419.5433 / 13.2Yes
37856-23-8C20H14N2O2314.3443 / 13.4Yes
CHEMBL517017C24H32N7O8P577.53512 / 5-1.3No
CHEMBL589819C24H21ClF2N6O5546.91610 / 24.4No
AC1MCL2NC20H19FN4O2366.3966 / 01.7Yes
CHEMBL599691C24H23FN2O2390.4584 / 14.7Yes
SCHEMBL805715C29H29F2N3O2489.5675 / 16.0No
2,4-Dichlorobenzyl 4-methyl-6-morpholino-2-pyrimidinyl sulfideC16H17Cl2N3OS370.2925 / 04.3Yes
AC1MHCQDC25H24N2O5432.4766 / 14.1Yes
MLS002702938C25H26N2O370.4962 / 06.2No
MLS000697273C20H16N2O2S348.424 / 14.0Yes
MLS000526556C21H22N2O318.423 / 04.8Yes
CHEMBL302892C37H38N4O4602.7354 / 25.0No
CHEMBL268274C17H25N3O287.4073 / 13.0Yes
CHEMBL561577C23H26ClN3O3427.9294 / 13.5Yes
MLS000582908C17H17ClN2O3S364.8444 / 03.0Yes
SCHEMBL4540837C25H25FN2O3420.4845 / 03.8Yes
CHEMBL124719C42H50N8O13S2939.02514 / 110.6No
CHEMBL372529C30H31Cl2F2N5O3618.5076 / 35.4No
MLS000733225C27H28N4O2440.5474 / 04.7Yes
MLS001013300C16H21N3O2287.3634 / 04.1Yes
CHEMBL601885C30H40N4O3S536.7357 / 05.7No
CHEMBL1434107C24H27N3O4S2485.6177 / 14.1Yes
2-[(2,4-dichlorophenoxy)methyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrileC15H13Cl2N3O3354.1876 / 03.2Yes
CHEMBL3809152C17H17Cl2NO4370.2264 / 25.2No
CHEMBL3793009C20H22ClNO6407.8477 / 23.2Yes
AC1NZ6R1C10H17N3O2S243.3254 / 20.5Yes
CHEMBL2440638C18H13ClFN3O2357.7695 / 13.6Yes
CHEMBL1084616C21H22N6358.4495 / 03.3Yes
CHEMBL568916C19H20FN3O325.3873 / 13.8Yes
MLS000737240C5H3N5OS2213.2337 / 10.5Yes
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-benzamideC21H22N2O3S382.4785 / 04.1Yes
CHEMBL312707C27H31NO7S513.6058 / 24.0No
MLS001060928C20H20O3308.3773 / 03.4Yes
3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-oneC20H20O3308.3773 / 03.4Yes
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxamideC20H21N3O319.4082 / 04.0Yes
CHEMBL391915C30H39Cl2FN4O2577.5665 / 15.7No
CHEMBL1357974C20H25N5O2S399.5137 / 13.9Yes
AC1M1VKJC16H16O5S320.3596 / 03.5Yes
CHEMBL376456C12H14N2O2218.2563 / 10.3Yes
CHEMBL3263322C27H34N6O2474.6097 / 13.3Yes
CHEMBL300644C24H26N2O2S406.5444 / 15.0Yes
CHEMBL2001833C18H11ClN4O334.7634 / 02.7Yes
CHEMBL1171381C31H37N5O4543.6685 / 04.4No
CHEMBL2031733C28H27N3O421.5443 / 15.3No
benzazepine derivative, 16C27H28ClN3O2461.993 / 15.1No
BENZYL BROMIDEC7H7Br171.0370 / 02.9Yes
CHEMBL2338752C32H39NO4501.6675 / 25.2No
CHEMBL232206C29H26F3N5S533.6179 / 06.2No
CHEMBL3930886C29H24Cl2N4O515.4383 / 16.3No
CHEMBL236475C22H25ClN2O2384.9044 / 13.8Yes
MLS000678854C15H13NOS255.3352 / 03.1Yes
SCHEMBL15776122C18H22FN3O3347.395 / 12.1Yes
CHEMBL3891188C18H22FN3O3347.395 / 12.1Yes
CHEMBL3898811C18H22FN3O3347.395 / 12.1Yes
N-(2-(7-Methoxynaphth-1-yl)ethyl)propionamideC16H19NO2257.3332 / 13.2Yes
SCHEMBL2299352C15H16N2O2256.3053 / 11.8Yes
SMR001246036C23H22F2N2O5S476.4959 / 14.8Yes
CID 44327951C15H18ClN5O3351.7915 / 11.0Yes
CHEMBL2112211C30H27F6N3O3591.5549 / 26.2No
SCHEMBL18548061C37H36Cl2N4O4S703.6796 / 17.3No
BDBM50332632C17H13ClN2O3328.7524 / 12.8Yes
SMR000092402C26H30N4O4462.556 / 14.1Yes
CHEMBL3785626C14H21N5O2S323.4155 / 20.9Yes
AC1MD5HEC15H11ClF4N4O2390.7238 / 34.5Yes
CHEMBL3951983C21H15F2N3O3395.3666 / 11.9Yes
AC1ME3YVC14H20N2O2248.3262 / 21.6Yes
Enamine_005764C23H21N3O2S403.54 / 13.5Yes
CHEMBL2064265C20H32N+286.4830 / 06.8No
CHEMBL2057534C20H32N+286.4830 / 06.8No
MLS000776250C14H16N4O3S2352.4276 / 21.7Yes
CHEMBL575812C13H17N5O3291.3118 / 01.1Yes
BDBM50303350C15H15ClN2O12P2-2512.68512 / 3-1.9No
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indoleC18H19N5305.3854 / 03.1Yes
CHEMBL14453C32H36N2O4512.654 / 25.9No
SMR000194746C18H19IN2S422.3283 / 1N/AN/A
CHEMBL397690C18H19ClN2O2S362.8724 / 13.8Yes
CHEMBL468919C18H19ClN2O2S362.8724 / 13.8Yes
3,7-di-tert-butyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-oneC27H36N2O404.5983 / 04.5Yes
6-methoxy-N-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-amineC19H20N2O2308.3814 / 14.0Yes
CHEMBL1417232C19H23ClN6370.8855 / 04.8Yes
MLS000113035C20H26N2O3S374.4995 / 03.1Yes
CHEMBL3893847C28H35F2NO4S519.6487 / 26.8No
CHEMBL3968443C28H35F2NO4S519.6487 / 26.8No
MLS000040578C18H16N4288.3543 / 03.5Yes
CHEMBL3733065C29H30FN7O5S607.6619 / 32.9No
CHEMBL611552C20H22N10O7514.45914 / 5-0.1No
CHEMBL2413111C20H22N10O7514.45914 / 5-0.1No
CHEMBL611552C20H22N10O7514.45914 / 5-0.1No
MLS000674515C16H20N4O4S2396.488 / 21.9Yes
1-(4-methylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-oxopyrrolidine-3-carbohydrazideC18H19N3O2S341.4294 / 12.6Yes
MLS000533758C26H33N3O403.572 / 15.0Yes
SCHEMBL3621153C12H16N2O204.2732 / 11.9Yes
SCHEMBL3620932C12H16N2O204.2732 / 11.9Yes
CHEMBL1258192C22H23N7O2417.4737 / 13.5Yes
1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dioneC20H20ClN3O2369.8494 / 03.1Yes
AC1MWHBFC15H21N3OS291.4134 / 13.3Yes
AC1OFNKCC14H14N4OS286.3534 / 22.5Yes
SMR000095170C15H12N2O3S2332.3925 / 12.5Yes
MLS000727578C23H21BrN4O449.3523 / 04.2Yes
MLS003120640C23H19N3O5S449.4816 / 32.6Yes
MLS000849526C30H51N5O8609.7659 / 44.6No
CHEMBL129463C33H29FO7556.5868 / 26.9No
SMR000033264C22H18N4O2370.4125 / 13.8Yes
CHEMBL270376C23H25F3N6OS2522.60911 / 04.9No
MLS001115745C19H20ClN5O2385.8524 / 02.5Yes
CHEMBL3747317C27H39Cl2N3O4540.5266 / 5N/ANo
SMR001217129C28H37F3N2O7S602.66612 / 1N/ANo
SMR001217205C28H37F3N2O7S602.66612 / 1N/ANo
MLS000103049C17H12FN3O293.3015 / 14.5Yes
MLS003315813C30H34N6478.6445 / 05.5No
SCHEMBL6925282C25H26FN5O431.5156 / 03.7Yes
MolPort-000-699-029C18H19ClN4O342.8275 / 2N/AN/A
SMR000120474C24H29N7O4479.5418 / 22.2Yes
MLS000031948C24H27N3O6S485.5557 / 22.2Yes
SCHEMBL16666146C20H20FN3O4S417.4558 / 23.5Yes
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)acrylamideC14H19N5O273.343 / 10.9Yes
CHEMBL534719C27H30ClN3O448.0072 / 4N/AN/A
CHEMBL3978574C31H42Cl2N4O2573.6034 / 26.1No
CHEMBL1784127C22H20F2N4O394.4265 / 12.3Yes
MLS002642651C17H18BrNO3S396.2994 / 04.2Yes
CHEMBL518110C20H14Cl2N2O4S3513.4226 / 26.2No
CHEMBL1644281C20H20N2O304.3932 / 23.0Yes
CHEMBL2207082C15H11Cl3N4O2S417.6895 / 13.4Yes
(2E,4E)-N-isobutyltetradeca-2,4-dienamideC18H33NO279.4681 / 16.6No
MLS000681499C20H15N3O8425.3538 / 11.4Yes
UNII-T008V6U905C20H31NO2317.4733 / 05.3No
ethyl {3-[(3,5-dimethoxybenzoyl)amino]phenyl}carbamateC18H20N2O5344.3675 / 22.6Yes
CHEMBL239657C14H21N2O+233.3352 / 11.8Yes
CHEMBL38503C24H28N4O388.5154 / 15.1No
CHEMBL332697C23H24N4O6452.4676 / 12.7Yes
MLS001158543C17H17ClN2O5S2428.9026 / 02.1Yes
CHEMBL2371354C76H102ClN19O131525.2215 / 184.3No
MLS002166144C27H31N3O4S493.6226 / 13.2Yes
SCHEMBL18547958C35H33Cl2N3O3S646.6275 / 08.0No
CHEMBL435777C45H63N11O6854.078 / 93.0No
CHEMBL293241C45H63N11O6854.078 / 93.0No
CHEMBL3692841C17H15NO3S313.3714 / 12.6Yes
CHEMBL245457C6H9N3O2155.1574 / 3-2.8Yes
CHEMBL104300C20H30ClN3O2S411.9894 / 25.4No
CHEMBL139627C19H21NO3311.3813 / 12.9Yes
5-{[3-(diethylamino)propyl]amino}-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrileC19H26N4O3358.4427 / 14.0Yes
CHEMBL1934105C28H26N2O406.5291 / 05.9No
MLS000775553C21H16ClN3O3393.8274 / 33.9Yes
GT-GKC58H99N17O81162.5419 / 55.4No
CHEMBL255861C20H15ClN4O3S426.8757 / 13.9Yes
PseudoisocyanineC23H23N2+327.4511 / 05.6No
CHEMBL194995C28H29NO4443.5435 / 15.1No
CHEMBL319589C28H29NO4443.5435 / 15.1No
Tocris-0537C23H36N2O356.5542 / 15.5No
MLS000703431C19H14N2O5350.335 / 23.8Yes
CHEMBL1099113C23H16N2320.3952 / 05.6No
N-(4-chlorophenyl)-4-[isopropyl(methyl)amino]piperidine-1-carboxamideC16H24ClN3O309.8382 / 13.1Yes
CHEMBL3233865C30H32N2O4484.5966 / 05.6No
CHEMBL452238C33H42ClN3O5S628.2257 / 16.0No
AC1LI12XC16H17NO3S303.3764 / 14.3Yes
5HT6-ligand-1C20H22BrN3O2S448.3794 / 03.6Yes
CHEMBL2164578C28H31F3N4O2S544.6379 / 25.7No
CHEMBL103189C23H26N4OS406.5484 / 12.4Yes
SR-01000051804-2C19H19N3OS337.4414 / 03.6Yes
CHEMBL1096802C29H33N5O467.6176 / 05.1No
CHEMBL364784C19H16F3N3O3S423.419 / 03.5Yes
7,7-Dimethyl-(5Z,8Z)-eicosadienoic acidC22H40O2336.562 / 18.5No
CHEMBL429420C24H24N6O412.4975 / 13.8Yes
AC1M6YF0C19H21NO6359.3786 / 23.6Yes
CHEMBL1243232C19H27N3O3345.4434 / 11.8Yes
CHEMBL12494C15H19N3O257.3372 / 21.9Yes
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1-methyl-1H-pyrazole-5-carboxamideC17H13F5N6O3444.32210 / 12.4Yes
CHEMBL50188C25H36N2O4428.5735 / 04.2Yes
CHEMBL190525C26H29N5O3459.555 / 23.4Yes
CHEMBL3132966C20H19ClN4O2382.8484 / 03.9Yes
MLS000697907C27H42N4O2454.6593 / 14.9Yes
2-chloro-N-[(dibutylamino)carbonothioyl]benzamideC16H23ClN2OS326.8832 / 14.7Yes
MLS000547988C17H21N5OS2375.5096 / 24.9Yes
CHEMBL255692C36H46Cl2N2O2609.6764 / 4N/ANo
Phenyl-acetic acid [2-(4-chloro-benzyloxy)-benzylidene]-hydrazideC22H19ClN2O2378.8563 / 14.9Yes
CHEMBL2023578C27H34N2O4450.5794 / 25.7No
CHEMBL2203622C18H22N2O2298.3863 / 03.8Yes
CHEMBL1956933C15H20N2O3S308.3965 / 13.5Yes
CHEMBL2042308C49H58N8O5839.05410 / 69.0No
MLS000522287C20H31ClN2O350.9312 / 3N/AN/A
SCHEMBL15774531C32H30N4O4S566.6765 / 14.9No
CHEMBL1766351C21H15ClN4O2390.8273 / 24.1Yes
CHEMBL369786C25H33N3O2407.5583 / 15.8No
SMR000634891C25H38N4O4S2522.7237 / 13.0No
CHEMBL296304C18H22N2266.3882 / 03.2Yes
AC1N1QGQC18H27N3O4S2413.5516 / 22.8Yes
CHEMBL361210C35H44ClN5O2602.225 / 35.1No
CHEMBL1790736C16H22ClN5O3367.8347 / 33.3Yes
CHEMBL130585C21H23N3O3365.4334 / 03.8Yes
CHEMBL377270C31H28F4N4O548.5867 / 26.2No
CHEMBL608020C18H22N6O3S2434.53310 / 32.6Yes
4-methyl-N-(2-((2-methyl-1H-indol-3-yl)thio)ethyl)-3-nitrobenzamideC19H19N3O3S369.4394 / 24.1Yes
AC1P7LUHC19H18FN3O2S371.435 / 13.4Yes
5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazoleC15H18N2O242.3223 / 04.4Yes
5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-2-yl)furan-2-carboxamideC18H15ClN2O3342.7794 / 13.9Yes
CHEMBL1474792C26H27N3O3429.524 / 14.5Yes
CHEMBL3604067C20H20F3NO4395.3788 / 13.5Yes
CHEMBL432266C33H32FN9O3621.6778 / 33.8No
CHEMBL1084697C22H22N2O2346.433 / 24.9Yes
UNII-QPE81T4KH0C23H32FN3O4433.5246 / 22.5Yes
CHEMBL380260C27H32Cl2N4O4S579.5377 / 34.5No
MLS002155873C19H19ClF3N3O3S461.8848 / 13.6Yes
MLS000033400C13H9Cl2N5O2338.1485 / 12.5Yes
AC1MCUWYC17H11Cl2N3S2392.3165 / 05.7No
MLS001125267C23H27N3O2S409.5485 / 14.0Yes
3-bromo-5-ethoxy-4-methoxybenzamideC10H12BrNO3274.1143 / 11.8Yes
CHEMBL1592577C21H21NO4S2415.5225 / 13.7Yes
CHEMBL211135C17H17Cl2N5362.2584 / 03.4Yes
CHEMBL3658252C19H15FN8OS422.44210 / 31.4Yes
B-9858C64H95N15O131282.5617 / 14-3.3No
Lys-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-Igl-OicC64H95N15O131282.5617 / 14-3.3No
CHEMBL179315C28H30N8O4542.68 / 24.2No
CHEMBL389996C23H17ClF2N2O3442.8477 / 14.3Yes
CHEMBL593606C23H19Cl2F2N3S478.3835 / 16.5No
CHEMBL1672760C12H12N2O3232.2394 / 10.3Yes
CMLDBU00002173C37H46N4O4610.7997 / 07.3No
CID 53641783C27H28N3O+410.5413 / 06.9No
CHEMBL397112C19H12ClF2NO2S391.8175 / 04.8Yes
Oprea1_608979C19H23NO2297.3982 / 04.3Yes
2-[(2E)-3-(2-fluorophenyl)prop-2-enoyl]-5-methoxyphenyl 4-nitrobenzoateC23H16FNO6421.387 / 05.0Yes
MLS001082953C25H27N3O3417.5094 / 04.2Yes
CHEMBL105478C22H25FN4O380.4674 / 23.8Yes
CHEMBL1534644C24H20FN3O2S433.5016 / 14.6Yes
SMR000075452C15H10F3N3O2S353.3198 / 02.5Yes
AC1MEE7HC20H24ClNO5S425.9246 / 24.7Yes
BDBM50068818C32H39N5O6589.6938 / 22.9No
BDBM50004624C31H27ClN4O4555.0317 / 15.0No
CHEMBL251335C24H30N4O390.5314 / 03.0Yes
AC1MBKFQC16H14ClF3N2O2358.7456 / 03.6Yes
SCHEMBL2485239C24H32Cl2N6O491.4616 / 1N/AN/A
PhAR, CycloproylC26H43NO4433.6334 / 27.0No
CHEMBL2036783C17H23Cl2N5O2400.3044 / 21.1Yes
CHEMBL104481C29H42N4O4510.6796 / 54.1No
CHEMBL1774516C18H20F3NO2339.3585 / 13.6Yes
MLS001218325C19H21NO5343.3795 / 13.4Yes
CHEMBL99053C30H25FN4O2S524.6145 / 04.4No
MLS002603238C28H29NO4S475.6036 / 05.8No
BDBM50355384C139H172N48O212851.2233 / 33-2.4No
ethyl 5-[(cyclobutylcarbonyl)amino]-1-(4-isopropylphenyl)-1H-pyrazole-4-carboxylateC20H25N3O3355.4384 / 14.3Yes
CHEMBL218930C18H24F3N3O355.4055 / 13.0Yes
CYM50199C14H12BrCl2NO2377.0593 / 05.2No
CHEMBL328786C20H15NO5S381.4026 / 14.5Yes
SMR000261664C22H18Cl2F2N4S2511.4314 / 45.6No
CHEMBL425807C26H27F3N6O3528.5367 / 22.8No
1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]ureaC16H23N3O4321.3774 / 20.8Yes
CHEMBL104491C18H24N4O2328.4163 / 13.8Yes
1-(chloroacetyl)-4-(1-phenylethyl)piperazine hydrochlorideC14H20Cl2N2O303.2272 / 1N/AN/A
CHEMBL260456C20H21ClN4O368.8655 / 03.9Yes
1-(3-phenoxypropyl)-1H-indole-3-carbonitrileC18H16N2O276.3392 / 03.7Yes
MLS001007658C16H20N2O4304.3464 / 12.8Yes
CHEMBL94988C25H25ClN4O2S2513.0717 / 15.5No
MLS001175072C19H17N3OS335.4254 / 04.1Yes
SCHEMBL1278797C20H21N5O3379.425 / 01.9Yes
CHEMBL114700C27H28BrN5O6S630.51411 / 15.7No
CHEMBL1402966C24H29N3O3S439.5744 / 13.2Yes
CHEMBL3921062C19H14F4O4382.3118 / 15.6No
AC1LI6RHC13H10FNO3S279.2855 / 13.3Yes
MLS001096073C20H21N3O6S431.4637 / 21.6Yes
SMR000078935C20H21FN2O4S404.4566 / 12.2Yes
CHEMBL265503C55H71N11O19S21254.3521 / 17-1.0No
MLS002695122C20H21NO2307.3933 / 04.4Yes
CHEMBL55207C20H16Cl2N4O2415.2744 / 14.0Yes
CHEMBL256781C24H30N2O4S442.5745 / 03.9Yes
SMR000201569C25H26ClFN2O2440.9434 / 3N/AN/A
CHEMBL3764191C21H23F3N4OS2468.5579 / 04.0Yes
SMR000013800C18H20ClN5O2373.8414 / 13.2Yes
CHEMBL338938C25H35N3O2409.5743 / 14.7Yes
SMR000006424C21H19N5O3S421.4758 / 03.1Yes
CHEMBL1395306C20H18N4O2S2410.516 / 23.3Yes
AC1M9MQSC18H21FN2O3S364.4355 / 12.7Yes
CHEMBL225414C21H18Br2N2O2490.1952 / 34.6Yes
MLS001007554C25H29NO2375.5123 / 25.3No
CHEMBL370576C27H27ClN4O2474.9895 / 16.0No
MLS001105421C17H18FN3O2315.3484 / 02.9Yes
AC1OH8XLC20H18N4O3S394.4497 / 13.0Yes
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]furan-2-carboxamideC20H20N2O5S400.4496 / 13.2Yes
CHEMBL248272C26H33N3O5467.5667 / 13.3Yes
CHEMBL303380C19H23Cl2N5392.3284 / 05.3No
MLS002474442C31H36F3N5O4599.6559 / 33.6No
CHEMBL68642C27H28N2O396.5342 / 05.9No
CHEMBL1823847C24H22ClN5O3463.9226 / 14.2Yes
MLS001032331C17H17ClN2O5S2428.9026 / 02.1Yes
Ethyl 4-(4-(4-chlorophenyl)thiazol-2-yl)piperazine-1-carboxylateC16H18ClN3O2S351.8495 / 03.7Yes
2-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanoneC12H15BrN4O311.1833 / 02.5Yes
CHEMBL3983235C23H24N2O344.4582 / 14.3Yes
CHEMBL3971646C25H26N4O6S510.56510 / 13.1No
CHEMBL65121C17H18ClNO4S367.8445 / 23.2Yes
CHEMBL2371484C74H93ClN18O141494.1216 / 151.2No
CID 44404999C121H209N43O34S2842.3340 / 40-11.4No
CHEMBL1682217C27H26Cl2N4O4541.4295 / 63.4No
MLS000118778C16H22N4O286.3793 / 11.7Yes
2-((2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-(3,5-dimethylphenyl)acetamideC28H25ClN4O3S533.0437 / 25.3No
MLS000556448C21H19N3O3S2425.5218 / 05.5No
CHEMBL466923C30H30N4O3494.5955 / 44.5Yes
CHEMBL1823343C31H30N4O3506.6066 / 14.9No
AC1OKB43C18H23N3O4S2409.5197 / 02.2Yes
SCHEMBL17419035C27H28FN3O4477.5368 / 14.6Yes
MLS001150165C17H19N3O3313.3574 / 21.6Yes
CHEMBL2403667C18H16N2OS308.3993 / 03.7Yes
CHEMBL493780C24H32F6N2O478.5238 / 26.2No
CHEMBL1088665C23H24N6O400.4867 / 22.1Yes
CHEMBL511794C18H23N3OS329.4624 / 04.7Yes
CHEMBL1095693C12H12N2OS232.3013 / 01.8Yes
CHEMBL1454110C22H24ClN3O4S461.9615 / 22.5Yes
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl thiophene-2-carboxylateC20H22N2O4S2418.5266 / 04.4Yes
CHEMBL1472621C26H24BrClN4O3S587.9176 / 36.1No
MLS002166209C17H17BrFNO2366.233 / 04.1Yes
CHEMBL220521C12H13ClN2O2252.6983 / 10.9Yes
AC1M1DAKC21H17BrN2O4S2505.4016 / 24.4No
MLS000060886C20H16N2O2316.363 / 24.0Yes
CHEMBL1530398C20H17NOS2351.4823 / 14.8Yes
CHEMBL1290382C25H22F3N3O2453.4656 / 13.5Yes
MLS003128768C31H45FN4O5572.7227 / 24.2No
CHEMBL167923C24H32N4O3424.5456 / 26.0No
CHEMBL3338267C27H26N4O2438.5314 / 15.1No
4-(2,2-Dimethyl-propionylamino)-piperidine-1-carboxylic acid p-tolylamideC18H27N3O2317.4332 / 22.7Yes
3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamideC23H25NO2347.4582 / 25.1No
MLS002402837C21H15NO5361.3536 / 12.3Yes
MLS000714572C22H30N2O6418.496 / 22.5Yes
SMR000046926C24H30N2O5S458.5736 / 23.1Yes
2-Amino-N-ethyl-5-nitrobenzenesulfonanilideC14H15N3O4S321.3516 / 12.7Yes
SCHEMBL2582970C19H14FN3O2335.3385 / 13.1Yes
AC1LMEKKC12H11N3O3245.2384 / 20.4Yes
CHEMBL565074C17H12INOS405.2533 / 15.4No
CHEMBL481707C29H35N3O441.6193 / 07.1No
CHEMBL1593216C18H20ClN3O2S377.8874 / 23.7Yes
CHEMBL3786346C25H26N4O4446.5077 / 02.5Yes
CHEMBL3359840C24H24N4O5448.4799 / 10.8Yes
MLS003122084C24H24N4O4432.487 / 03.3Yes
CHEMBL498519C25H24ClNO4437.925 / 32.5Yes
CHEMBL1326446C28H29N3O6503.5556 / 13.5No
CHEMBL557736C26H24BrClN4507.864 / 27.9No
MLS000879177C21H22N4O2362.4335 / 13.5Yes
triazine-4-carboxamide, 6C15H12ClN5O2329.7446 / 22.1Yes
CHEMBL2311187C47H75N13O111002.2114 / 11-4.1No
CHEMBL2369827C47H75N13O11998.19714 / 11-4.1No
CHEMBL413382C47H75N13O11998.19714 / 11-4.1No
CHEMBL569912C31H41N5O6S611.7589 / 24.5No
SCHEMBL1279727C23H25N5O4435.4846 / 01.5Yes
Dynorphin BC74H115N21O171570.8621 / 22-3.6No
Dynorphin BC74H115N21O171570.8621 / 22-3.6No
CHEMBL3605529C16H17ClN4O2S364.8485 / 12.5Yes
CHEMBL3736513C22H30BrN7O5552.438 / 51.3No
CHEMBL430841C35H32ClN3O2562.113 / 17.0No
CHEMBL3902305C22H23N7O5465.4710 / 22.3Yes
SMR000120347C24H26N6O4S494.578 / 14.0Yes
(2-Benzo[1,3]dioxol-5-yl-ethyl)-(2-ethoxy-benzyl)-amineC18H22ClNO3335.8284 / 2N/AN/A
CHEMBL1258628C23H21ClN4O4S484.9558 / 04.1Yes
methyl 4-{4-[(4-bromophenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylateC18H18BrN3O6S484.3218 / 03.0Yes
CHEMBL298272C32H47N3O5553.7445 / 45.6No
CHEMBL296014C32H47N3O5553.7445 / 45.6No
CHEMBL430576C32H47N3O5553.7445 / 45.6No
CHEMBL225415C24H24Cl2N4O455.3833 / 16.3No
MLS000561111C22H21N3O3S407.4886 / 14.1Yes
CHEMBL3927136C30H42N2O5510.6757 / 24.4No
CHEMBL511907C25H27Cl3N4O505.8683 / 17.8No
SMR000151364C20H18F2N2O4S420.4318 / 15.0Yes
CHEMBL3415043C13H12N4O2S288.3256 / 22.2Yes
CID 44433197C18H20ClN5O2S2437.9617 / 12.7Yes
CHEMBL523945C17H13F2N5S357.3837 / 12.5Yes
CHEMBL1203171C19H24N2OS328.4743 / 24.1Yes
2-(allylsulfanyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-olC14H13N3OS2303.3985 / 13.7Yes
SMR000016478C22H30N6O4442.526 / 01.4Yes
CHEMBL1078533C20H28N4O3S404.5295 / 42.6Yes
AC1MZMD8C27H26N2O5S490.5746 / 24.1Yes
MLS001201716C19H16N2O3S2384.4686 / 13.7Yes
CHEMBL196744C21H24Cl2FN3O424.3414 / 14.9Yes
CHEMBL3597633C36H38FNO5583.76 / 27.4No
CHEMBL420867C22H26N4O362.4772 / 22.5Yes
CHEMBL3741065C23H19ClN2O4422.8654 / 04.4Yes
1-[(2-Chlorophenyl)(3-chlorophenyl)methyl]-4-methylpiperazineC22H24Cl2N2O4451.3446 / 2N/AN/A
SB-258719C18H30N2O2S338.514 / 03.5Yes
CHEMBL1734260C26H29N3O5S495.5946 / 13.8Yes
SMR000135825C20H25ClN2O3S408.9415 / 04.4Yes
CHEMBL157591C24H20ClF3N4O2S520.9557 / 15.5No
CHEMBL299726C20H17ClN4O2380.8324 / 13.5Yes
SMR000601485C30H38N4O6550.6567 / 23.5No
CHEMBL268659C40H51N11O6781.9198 / 91.2No
AC1NXSOKC17H20N2O268.362 / 14.3Yes
CHEMBL164039C24H29NO4S2459.6197 / 05.6No
3-{(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylene]hydrazino}benzoic acidC17H12Cl2N2O2S379.2555 / 24.6Yes
CHEMBL3401568C18H19ClN2O2S362.8724 / 15.0Yes
SMR000005663C20H22N6O3S426.4957 / 23.3Yes
MLS000710418C22H22N4O3S422.5036 / 23.4Yes
CHEMBL194435C29H38N4442.6514 / 15.4No
CHEMBL279931C19H21ClN2O328.842 / 33.8Yes
CHEMBL25823C19H21ClN2O328.842 / 33.8Yes
CHEMBL282039C19H21ClN2O328.842 / 33.8Yes
CHEMBL25133C19H21ClN2O328.842 / 33.8Yes
CHEMBL26393C19H21ClN2O328.842 / 33.8Yes
CHEMBL3943310C23H30N4O3410.5184 / 03.3Yes
CHEMBL1672755C9H8N2O3S224.2344 / 20.2Yes
CHEMBL262858C24H22N2O3386.4514 / 04.3Yes
SMR000127697C18H18N6O2350.3827 / 12.9Yes
MLS000528029C20H20N2O5S400.4496 / 23.7Yes
SMR000220521C28H25N5O2463.5415 / 13.5Yes
CHEMBL316523C37H41NO12691.7312 / 16.4No
AC1OBPIVC19H18ClN3O2355.8223 / 14.2Yes
SMR000031065C17H21N3O4S363.4325 / 20.8Yes
CHEMBL3612943C20H20ClN9O3S501.9510 / 41.0No
MLS001161505C23H24F4N4O4496.46310 / 13.1Yes
SCHEMBL6924367C24H25N3O3S435.5424 / 22.7Yes
SMR000064637C19H29N3O3347.4595 / 12.1Yes
CID 44323707C15H22N2O5310.356 / 3N/AN/A
CHEMBL2407545C20H19ClN4O3S430.9075 / 23.8Yes
CHEMBL12726C25H29F3N4442.536 / 14.8Yes
SCHEMBL17557708C33H28Cl2N4O2583.5136 / 25.5No
MLS003151666C16H18N4266.3484 / 12.4Yes
CHEMBL595943C17H18ClN3O315.8013 / 13.7Yes
MLS000536882C18H14N4O3334.3356 / 02.1Yes
CHEMBL1512003C19H29N5OS375.5355 / 25.1No
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamideC22H18N2O2S374.4584 / 15.3No
AC1ONPYMC15H18BrN3OS368.2934 / 03.6Yes
AC1NHPE1C19H14FN3O5S415.3958 / 03.4Yes
MLS000116842C23H25N3O4S439.536 / 13.0Yes
CHEMBL88174C32H44N4O2516.732 / 37.2No
AC1M7O1XC21H22N2O5382.4165 / 23.9Yes
CHEMBL3740030C21H32N4O3388.5125 / 22.6Yes
1-methyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethoxy)quinolin-2(1H)-oneC23H22F3N3O3445.4427 / 03.2Yes
CHEMBL2058592C22H22ClF2N3O2433.8846 / 05.4No
CHEMBL2260621C17H17NO3S315.3875 / 13.5Yes
MLS-0437447.0001C13H13N5O2S303.345 / 21.4Yes
AC1MCK42C13H13N5O2S303.345 / 21.4Yes
CHEMBL3948795C27H29N5O4487.567 / 23.4Yes
CHEMBL3977376C27H29N5O4487.567 / 23.4Yes
CHEMBL3939061C27H29N5O4487.567 / 23.4Yes
CHEMBL3958210C27H29N5O4487.567 / 23.4Yes
CHEMBL161147C23H24ClN3O2409.9144 / 04.4Yes
MLS001178961C22H24ClNO353.892 / 2N/AN/A
2-[cyclohexyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)acetamideC17H26N2O2290.4073 / 13.3Yes
1-Methylhistamine dihydrochlorideC6H13Cl2N3198.0912 / 3N/AN/A
SCHEMBL3612609C10H8F4N2O248.1816 / 11.9Yes
SCHEMBL3612606C10H8F4N2O248.1816 / 11.9Yes
CHEMBL3934367C29H35ClN4O4539.0735 / 33.8No
3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]chromen-6-oneC20H17NO5351.3585 / 04.1Yes
SCHEMBL15579228C21H19N5O2373.4165 / 21.5Yes
CHEMBL600426C23H35NO341.5392 / 07.4No
AC1NLL93C16H16ClN3O5S397.837 / 11.7Yes
CHEMBL3794174C18H19ClFNO2335.8034 / 03.8Yes
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]cyclopropanecarboxamideC16H14Cl2N2O2337.22 / 13.0Yes
AC1LE32YC16H15N3249.3171 / 13.0Yes
MLS002155723C20H24N2O4356.4225 / 13.8Yes
CHEMBL2010905C19H28N2O3S364.5044 / 23.7Yes
CHEMBL1359359C18H19NO6S377.4118 / 5N/AN/A
SCHEMBL4536986C22H24N4O3392.4595 / 02.4Yes
MLS001175476C20H26N2O2326.442 / 23.8Yes
MLS000576434C20H21BrClN3O3S2530.887 / 2N/ANo
MLS000390273C12H15N3O2S265.3314 / 21.5Yes
CHEMBL401418C37H54N6O2S646.9397 / 34.8No
171722-92-2C18H20N2O2296.373 / 22.5Yes
MLS000833548C18H17F5N4S416.4148 / 14.0Yes
BRD-K69226362-001-05-5C17H17ClN2O3S364.8444 / 04.4Yes
CHEMBL3597077C84H139N21O241827.1628 / 25-4.1No
CHEMBL166803C34H56N6O4612.868 / 46.5No
AC1M0V5PC20H21ClN2O5S436.9076 / 03.3Yes
BAS 03293908C13H14N4O2258.2815 / 12.7Yes
CHEMBL99041C23H25N3O4407.475 / 32.8Yes
SMR000153747C21H28N4O6S2496.59710 / 01.5Yes
MLS001105988C21H25ClN2O3388.8924 / 13.9Yes
CHEMBL41536C24H26N4O2S434.5586 / 04.3Yes
CHEMBL396560C21H24N2O320.4362 / 14.3Yes
CHEMBL3828578C20H36N2O2S368.584 / 27.8No
CHEMBL1437432C21H17ClFN3O3S445.8937 / 14.7Yes
CHEMBL1209477C26H33FN2O2S456.625 / 18.3No
CHEMBL3093315C17H17N5O2S355.4165 / 01.4Yes
CHEMBL1404648C24H23NO5405.455 / 14.1Yes
AC1LDEN8C11H12ClN3O2S285.7465 / 12.9Yes
4-benzyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamideC20H25N3S339.5012 / 13.7Yes
N-(2-methoxyphenyl)-N'-(3-phenylpropanoyl)thioureaC17H18N2O2S314.4033 / 23.7Yes
MLS000045963C21H23N3O4381.4324 / 12.0Yes
Indolo[2,3-b]quinoxalin-6-yl-acetic acid ethyl esterC18H15N3O2305.3374 / 03.2Yes
2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]-4,6-dimethylpyrimidineC17H18N4S310.4194 / 04.4Yes
CHEMBL45156C15H21BrFNO330.2413 / 04.1Yes
CHEMBL353990C21H31N3O341.4993 / 14.2Yes
CHEMBL181251C23H23BrF3N5O2538.3699 / 15.9No
MLS000538526C18H18BrNO2360.2512 / 04.3Yes
AC1M7S1BC24H24ClN3O3S469.9845 / 04.3Yes
Eicosatrienoic acidC20H34O2306.492 / 16.9No
MLS002155887C21H26N4O6S2494.5818 / 21.4Yes
MLS003124182C23H22N4O370.4563 / 14.3Yes
MLS001123009C18H17FN2O2S344.4044 / 12.4Yes
MLS000391861C22H20N2O5S424.4716 / 12.4Yes
AC1MGVVRC15H16F3N3O3343.3066 / 22.3Yes
CHEMBL42800C23H23F6N3O2487.4469 / 24.1Yes
MLS000925214C20H21NO4S371.4515 / 03.3Yes
MLS002921002C19H19N5S349.4563 / 12.6Yes
MLS001157444C25H23F3N2O3456.4656 / 15.1No
CHEMBL370588C23H21BrN4O4497.3494 / 23.6Yes
CHEMBL3085393C14H18ClN5291.7835 / 22.7Yes
CHEMBL435439C14H18ClN5291.7835 / 22.7Yes
CHEMBL137972C29H41N3O2463.6664 / 14.8Yes
CHEMBL446604C37H50N4O4614.8315 / 35.1No
CHEMBL53876C15H10ClN3O4S363.7726 / 12.8Yes
4-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acidC21H13N3O3355.3535 / 23.6Yes
CHEMBL1596839C26H32N2O4S468.6126 / 15.2No
CHEMBL403844C19H19N261.3681 / 03.7Yes
CHEMBL245261C18H21N3O7S423.447 / 22.8Yes
CHEMBL597091C17H23ClN2OS338.8943 / 04.1Yes
1973-09-7C15H12ClN5297.7465 / 24.7Yes
CHEMBL418989C28H31N5O3S517.6487 / 02.9No
CHEMBL255401C23H27N5O3S453.5618 / 22.7Yes
CHEMBL413554C20H21FN2O324.3994 / 03.8Yes
CHEMBL1355684C24H17N3O5S459.4767 / 34.1Yes
CHEMBL225492C21H22ClN3351.8783 / 14.8Yes
CHEMBL1209518C13H13N3O227.2674 / 12.5Yes
CHEMBL596148C18H20N2O2S328.433 / 13.1Yes
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(4-methoxybenzyl)-2-propenamideC20H22FNO3343.3984 / 13.8Yes
CHEMBL137163C17H24N2O272.3923 / 12.4Yes
CHEMBL1551190C26H26N2O3S446.5655 / 15.1No
MLS000541107C20H16O6352.3426 / 23.4Yes
5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amineC10H12N4O2220.2325 / 21.2Yes
MLS002181699C18H17NO4311.3374 / 13.2Yes
CHEMBL423215C28H32N2O412.5772 / 36.6No
CHEMBL2170545C22H32N2O2356.513 / 14.3Yes
MLS002320750C27H28ClNO4465.9745 / 3N/AN/A
CHEMBL283528C19H28ClN3O2365.9024 / 13.5Yes
CHEMBL279729C19H28ClN3O2365.9024 / 13.5Yes
LesopitronC15H21ClN6320.8255 / 01.8Yes
CHEMBL258205C29H33Cl2N3O2526.5023 / 25.6No
MLS000438552C21H21F3N2O2390.4065 / 13.4Yes
dUTPC9H15N2O14P3468.1414 / 6-5.5No
VU 0357121C17H17F2NO2305.3254 / 14.2Yes
CHEMBL2163437C35H49N11O6719.8489 / 9-0.2No
CHEMBL1289723C24H23N3O2385.4673 / 12.6Yes
CHEMBL1934527C25H33NO3S427.6034 / 04.8Yes
MLS000586049C14H13N7O3327.3048 / 22.4Yes
CHEMBL3912262C26H36F2N6O2502.61110 / 13.5No
CHEMBL3685923C25H29N3O3419.5254 / 24.5Yes
CHEMBL2158451C20H21ClF2N4O3S470.928 / 01.9Yes
AC1M72MSC24H27N5O2417.5135 / 22.9Yes
N,3-bis(4-methylphenyl)pyrrolidine-1-carbothioamideC19H22N2S310.4591 / 14.3Yes
CHEMBL175226C19H24ClN3OS377.9314 / 02.8Yes
BDBM50140022C94H151N25O252031.3928 / 23-3.4No
CHEMBL380782C23H23ClN4390.9153 / 25.8No
N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamideC18H18ClNO299.7981 / 14.7Yes
CHEMBL3092152C19H12ClN3O2S381.8345 / 15.1No
MLS000834627C25H35N3O4441.5725 / 34.6Yes
MLS000834580C25H35N3O4441.5725 / 34.6Yes
CHEMBL3658272C20H14BrFN2O2S445.3065 / 14.7Yes
SMR000141826C12H8ClN3O2S293.7256 / 13.0Yes
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2,4-dimethylphenyl)methanesulfonamideC24H26N2O3S422.5434 / 14.2Yes
MLS001096212C22H31N3O3S417.5684 / 13.4Yes
CHEMBL585306C25H30N6O5S526.6129 / 32.6No
CHEMBL348685C20H22N2O3S2402.5276 / 14.6Yes
CHEMBL1642853C23H25ClN4O2S456.9895 / 4N/AN/A
4'-Chloro-2,2':6',2''-terpyridineC15H10ClN3267.7163 / 03.0Yes
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamideC18H19ClN6O3402.8395 / 13.1Yes
CHEMBL441532C29H32Cl2N6O3583.5146 / 32.9No
1-(2-chloro-4-nitrophenyl)-4-{[(4-chlorophenyl)thio]acetyl}piperazineC18H17Cl2N3O3S426.3125 / 04.6Yes
CHEMBL177378C31H32O9548.5889 / 15.7No
3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-oneC21H25NO307.4372 / 14.2Yes
SCHEMBL6929110C14H10FN5O2S331.3258 / 11.4Yes
SMR000173749C20H23ClIN3467.7792 / 0N/AN/A
MLS000936143C20H24FN3O4S421.4877 / 12.2Yes
CHEMBL92607C22H18O3330.3833 / 15.0Yes
SMR000060487C21H22ClN5O395.8913 / 13.4Yes
CHEMBL224571C23H19ClF3NO3S481.9148 / 13.1Yes
MLS000557950C19H27Cl2O4P421.2954 / 15.3No
SCHEMBL1833658C11H14N2O2206.2453 / 11.3Yes
SMR000294818C22H29BrCl2N2O3520.2895 / 2N/ANo
CHEMBL182624C24H33BrN4O473.4593 / 05.8No
CHEMBL496875C16H16N2236.3182 / 03.9Yes
N'-[2-(4-bromophenyl)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazideC21H25BrN4O2445.3614 / 22.9Yes
CHEMBL493494C19H18BrN3O2400.2763 / 23.6Yes
BPTUC23H22F3N3O3445.4427 / 26.1No
MLS001030049C18H14Br2N4O462.1454 / 0N/AN/A
UPCMLD00CSF70-1-1C31H35ClN2O3519.0823 / 06.2No
MLS003115408C18H22O4302.374 / 13.3Yes
CHEMBL460934C26H30N4O3446.5515 / 04.3Yes
AC1PK6WXC22H29N3O3S415.5525 / 22.8Yes
AC1MFBBPC23H27N3O4S441.5465 / 12.9Yes
1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]ureaC16H15N3OS2329.4364 / 24.0Yes
CHEMBL1092499C18H20FN3O3345.3745 / 02.5Yes
AC1NXJ5LC19H19N3O4353.3785 / 21.9Yes
CHEMBL522019C15H20N6O300.3667 / 10.7Yes
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamideC17H15NO5313.3095 / 12.3Yes
Org 27569C24H28ClN3O409.9582 / 26.0No
CHEMBL188440C36H40F3N3O4S667.78810 / 2N/ANo
CHEMBL184562C26H31NO2389.5392 / 16.3No
ASN 06418283C23H33N3O2383.5363 / 24.1Yes
CHEMBL121638C24H28N2O3392.4994 / 03.6Yes
CHEMBL1555161C23H28ClFN4O4S511.0097 / 32.6No
UNII-H0EVX3PS4BC23H30N2O2366.5053 / 03.7Yes
MLS003116250C25H30ClN5O5S548.0558 / 02.0No
CHEMBL2381082C27H26F3N3O3S529.5788 / 14.9No
CHEMBL3928465C64H82FN17O131316.4615 / 181.3No
CHEMBL3128185C30H29FN4O2S528.6467 / 34.2No
CHEMBL3798004C23H23ClF3N5O3509.9149 / 14.3No
CHEMBL559204C14H13N3O2S2319.3976 / 22.9Yes
Rac-3,8,11-TribromonantenineC20H18Br3NO4576.0795 / 05.3No
CHEMBL3347311C22H31Cl2N3O424.412 / 1N/AN/A
CHEMBL3675905C29H22Cl2F3N3O4604.4079 / 37.1No
CHEMBL1681868C25H33Cl2N5O490.4735 / 14.5Yes
MLS003117924C22H29N3O351.4943 / 13.7Yes
NSC89369C17H21N3S299.4362 / 23.5Yes
N-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-4-oxobutanamideC17H16FN3O3329.3315 / 31.7Yes
CHEMBL538235C15H22ClNO2283.7963 / 23.5Yes
4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamideC21H27N3O4S417.5246 / 22.0Yes
MLS000734863C20H25NO3327.4243 / 03.6Yes
SMR000002621C24H32N4O3S456.6056 / 04.3Yes
CHEMBL209380C27H33FN2O420.5723 / 14.9Yes
SMR000026250C15H15ClN2O274.7482 / 03.2Yes
CHEMBL50722C25H36N2O5444.5726 / 04.3Yes
CHEMBL57470C14H15NO3245.2784 / 41.8Yes
CHEMBL3685924C25H27Cl2N3O3488.4094 / 25.7No
BAS 03624680C19H20ClN3O3S405.8975 / 23.9Yes
MLS001028787C23H25N5O2S435.5465 / 13.7Yes
CHEMBL1914639C28H36ClN3O2482.0653 / 14.8Yes
CHEMBL3793957C24H30N2O4410.5145 / 11.4Yes
CHEMBL195291C26H33F3N4O474.5726 / 25.0Yes
CHEMBL23912C21H28N4O2368.4815 / 12.4Yes
GSK334429C20H29F3N4O398.4747 / 02.8Yes
N-methoxy-N-methyl-5-(4-methylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-sulfonamideC21H25N3O4S415.5086 / 02.8Yes
MLS000549971C13H19BrN2O2S347.2714 / 12.5Yes
OxetaneC3H6O58.081 / 0-0.1Yes
CHEMBL18270C11H14N2174.2472 / 01.1Yes
CHEMBL3361412C35H52N6O5636.8388 / 46.5No
CHEMBL140495C24H22FN3O2403.4575 / 24.4Yes
CHEMBL576121C16H13N3OS295.364 / 02.9Yes
ST062054C16H19NO3273.3323 / 13.5Yes
CHEMBL558026C22H29ClN4O2S2481.077 / 1N/AN/A
CHEMBL2180085C37H46F3N9O8801.82513 / 10N/ANo
NCGC00010127C24H30N2O362.5172 / 04.0Yes
CHEMBL280396C19H27NO5S381.4876 / 32.5Yes
CHEMBL19540C19H27NO5S381.4876 / 32.5Yes
CHEMBL1209670C27H26ClF3N2O2502.9626 / 06.6No
CHEMBL522183C23H21F2N3377.4394 / 14.2Yes
MLS000516332C13H14N4O4S2354.3997 / 30.7Yes
MLS003123368C21H15F3N2O368.3595 / 24.7Yes
MLS001030882C26H29N3O4S479.5956 / 13.8Yes
CHEMBL330172C41H45N5O5687.8418 / 05.8No
CHEMBL3970448C17H21N3O2299.3744 / 12.8Yes
CHEMBL3144354C28H29N3O4S503.6176 / 14.0No
CHEMBL365483C22H27NO321.4642 / 15.3No
AC1MXPGWC19H15N3S317.413 / 04.4Yes
MLS001082581C19H22ClN3O2S391.9144 / 02.4Yes
AC1MADJ6C22H25FN2O3S416.5115 / 03.7Yes
CHEMBL1316532C13H14N2OS246.3282 / 23.2Yes
CHEMBL112528C28H29F2N3O2477.5566 / 14.6Yes
CID 44364817C42H46N6O8762.8649 / 70.6No
CHEMBL2370988C42H46N6O8762.8649 / 70.6No
CHEMBL2370989C42H46N6O8762.8649 / 70.6No
CHEMBL592940C31H39F2N5O2551.6837 / 03.8No
SMR000130295C20H26N6350.475 / 24.3Yes
AC1MGDSDC16H24BrNO6406.2737 / 3N/AN/A
MLS003120202C29H27N3O3465.5535 / 15.6No
CHEMBL221077C30H30N4O3494.5955 / 15.5No
MLS001161344C17H16BrNO5S426.2816 / 12.8Yes
4-chloro-2-(5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenolC13H11ClN2OS278.7544 / 23.3Yes
CHEMBL158749C17H23NO257.3772 / 13.7Yes
CHEMBL158623C17H23NO257.3772 / 13.7Yes
AC1MD7KCC17H10ClF3N4O2S426.7988 / 24.5Yes
2,5-dichloro-N-pyridin-3-ylbenzenesulfonamideC11H8Cl2N2O2S303.1574 / 12.6Yes
CHEMBL3971447C25H27N5O2429.5247 / 13.5Yes
CHEMBL3974002C25H27N5O2429.5247 / 13.5Yes
Rac-3-BromonantenineC20H20BrNO4418.2875 / 03.9Yes
CHEMBL3976282C24H30N4OS2454.6516 / 15.5No
MLS001242674C25H42F3N3441.6276 / 36.7No
UNII-29S2U9DRGSC27H28N6O5516.5588 / 15.7No
CHEMBL2042237C23H17ClN4O6480.8617 / 22.2Yes
CHEMBL3824232C175H261N43O523799.2656 / 53-8.9No
CHEMBL108344C21H22Cl2N2O389.322 / 04.4Yes
CHEMBL3093189C21H21F3N2O374.4076 / 05.6No
AC1MV2WIC21H25N3O3367.4494 / 12.6Yes
p,p'-DDDC14H10Cl4320.0340 / 06.2No
MLS000076295C21H23ClN4O3S446.957 / 04.0Yes
SMR000353138C21H17Br2N3O7S615.2499 / 0N/ANo
3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-oneC10H7ClO4226.6124 / 22.0Yes
CHEMBL1836788C21H26N4O350.4664 / 12.8Yes
ASN 07048839C23H30N4O3S442.5786 / 14.4Yes
CHEMBL589513C43H56ClN11O7S906.50112 / 91.2No
CHEMBL583748C43H56ClN11O7S906.50112 / 91.2No
2-(1-hexynyl)adenosineC16H21N5O4347.3758 / 41.3Yes
CHEMBL3981215C16H21N5O4347.3758 / 41.3Yes
CHEMBL453637C25H25N3O3415.4934 / 15.8No
MLS000556376C19H15BrN4379.2613 / 14.4Yes
MLS000709469C18H20N4292.3863 / 14.3Yes
SMR000080301C18H15N3O4S369.3957 / 13.8Yes
CHEMBL544284C33H35N5O6597.6727 / 42.6No
SCHEMBL13018946C34H39N7O3593.7327 / 43.5No
CHEMBL439378C16H28N2O16P2S598.40617 / 9-5.5No
MLS003509118C25H28F4N2O3480.5048 / 1N/AN/A
CHEMBL2398758C23H34ClN3O2419.9943 / 14.8Yes
MLS003129766C23H39N5O4449.5966 / 11.1Yes
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(propan-2-yl)benzenesulfonamideC25H24N4O4S476.5518 / 24.6Yes
MLS003591018C30H33N7491.6436 / 05.3No
CHEMBL1357595C24H17ClFN3O417.8683 / 15.6No
SMR000142140C20H21N7O3S2471.55410 / 12.6Yes
BDBM160615C20H22FN5351.4295 / 13.7Yes
BDBM160605C20H22FN5351.4295 / 13.7Yes
BDBM160641C20H22FN5351.4295 / 13.7Yes
CHEMBL405408C55H67N15O9S21146.3614 / 140.7No
4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(diethylamino)propyl]benzamideC27H36N4O4S512.6696 / 23.8No
CCK-A Agonist 34C35H32FN5O4605.676 / 15.7No
MLS000718103C17H17BrN2O2361.2393 / 03.2Yes
orlistatC29H53NO5495.7455 / 110.0No
MLS001234695C23H31N3O5S461.5776 / 23.1Yes
AnilinoquinazolineC14H11N3221.2633 / 13.5Yes
FR-166124C25H22N4O3426.4765 / 12.9Yes
L-ornithineC5H12N2O2132.1634 / 3-4.4Yes
AC1MFZTAC17H28ClNO3329.8654 / 1N/AN/A
CHEMBL1868367C15H13N5O3311.3017 / 02.4Yes
CHEMBL479994C24H28BrCl2N3O2541.3114 / 25.4No
AC1MGUATC20H26N4S354.5163 / 14.4Yes
CHEMBL3121985C26H33N3O5S499.6268 / 34.6Yes
CHEMBL380777C18H19N3O3S357.4285 / 12.5Yes
AC1L1HUKC29H28ClN3O4518.014 / 25.2No
CHEMBL469146C23H23N7O413.4856 / 03.6Yes
CHEMBL3704460C20H25F5N6O3S524.51112 / 15.9No
CHEMBL1085258C29H28N2O4S500.6135 / 14.8No
AC1O3QMXC23H21N3O4403.4385 / 43.1Yes
CHEMBL3787159C21H15Cl2N3O2412.273 / 14.2Yes
MLS000048585C23H31ClN2O4434.9616 / 2N/AN/A
CHEMBL3613884C27H34F3N3O3505.5828 / 2N/ANo
SMR000007139C18H16N4O2S3416.5327 / 14.3Yes
1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanoneC24H26N4OS418.5593 / 03.2Yes
CHEMBL3978813C23H29FN2O368.4964 / 16.2No
CHEMBL1552571C24H21N3O5S463.5087 / 13.1Yes
CHEMBL544909C23H29N5OS423.5796 / 24.5Yes
MLS001176005C23H22N2O4390.4394 / 23.6Yes
AC1NHPWXC22H30N4O6S478.5647 / 12.8Yes
2-(dimethoxymethyl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinoneC18H20N2O4328.3685 / 12.7Yes
SMR000201601C25H26ClFN2O2440.9434 / 3N/AN/A
benzyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazono]ethanimidothioateC17H16N4OS324.4026 / 24.9Yes
CHEMBL562923C29H30FN3O3487.5755 / 23.8Yes
CHEMBL357303C19H20Cl2N4O2407.2954 / 23.4Yes
CHEMBL91224C15H15N3O4301.3025 / 31.3Yes
SCHEMBL15875079C30H40N2O3476.6614 / 15.6No
CHEMBL3958533C30H40N2O3476.6614 / 15.6No
AC1OSEP3C20H19N5OS377.4664 / 13.4Yes
AC1OBO3VC18H14N2O3306.3214 / 24.1Yes
CHEMBL468022C24H37N5S427.6556 / 14.7Yes
CHEMBL1773288C23H29N5O5S487.5758 / 03.2Yes
CHEMBL517962C19H22N4OS354.4726 / 03.9Yes
AC1M7BIAC20H19N3O3349.395 / 13.5Yes
CHEMBL2022873C16H11N3S277.3453 / 03.8Yes
MLS000735328C21H25F3N2O378.4396 / 13.7Yes
CHEMBL152289C14H19N201.3131 / 03.1Yes
MLS000707969C17H20ClN3OS349.8773 / 2N/AN/A
CHEMBL2398481C12H16N8O288.3157 / 20.6Yes
AC1N8SW0C19H19N3O6S417.4367 / 31.9Yes
CHEMBL3810295C27H22N2374.4871 / 16.8No
MLS000047044C21H25N3O5S431.5076 / 22.0Yes
MLS000566134C15H12N2O2S284.3334 / 13.6Yes
MLS000075101C22H18N2OS358.4592 / 04.7Yes
CHEMBL495625C24H22N4O4430.4646 / 12.8Yes
MLS000589004C19H16Cl2F3NO4450.2357 / 14.7Yes
AC1NK46VC16H16Cl2N2O2339.2163 / 34.1Yes
4-chloro-N-(4-(morpholinosulfonyl)phenyl)benzamideC17H17ClN2O4S380.8435 / 12.2Yes
CHEMBL3974582C23H21F2N7O3481.4649 / 03.2Yes
CHEMBL233054C25H33FN2O2412.5495 / 04.5Yes
CHEMBL235824C25H33FN2O2412.5495 / 04.5Yes
MLS000116315C20H24N2O3340.4234 / 14.0Yes
4-(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-2,6-dimethylmorpholineC18H22ClN3OS363.9045 / 04.2Yes
MLS000863211C28H27FN2O4474.5325 / 04.6Yes
SCHEMBL6928316C17H15N5O2321.346 / 11.9Yes
MLS001234699C22H27FN4O4S462.547 / 22.3Yes
AC1LHUX6C15H17N3OS287.3814 / 13.6Yes
MLS000590050C18H12N4O4348.3184 / 12.7Yes
CHEMBL3770072C28H32N2O412.5773 / 05.0Yes
CHEMBL107637C17H14N4274.3273 / 13.5Yes
AHOUBRCZNHFOSL-UHFFFAOYSA-NC19H20FNO3329.3715 / 13.5Yes
paroxetineC19H20FNO3329.3715 / 13.5Yes
MLS001142121C21H23ClN4O5S478.9487 / 03.1Yes
CHEMBL161202C29H36FN5O5553.6359 / 14.4No
CHEMBL568673C17H17Cl2N3O2S398.3024 / 03.3Yes
CHEMBL407225C67H88ClN19O121387.0116 / 150.3No
SCHEMBL1244610C14H16N4S272.375 / 13.0Yes
US8609852, 117C14H17N4S+273.3784 / 23.2Yes
MLS002391819C29H25FN2O3468.5285 / 06.2No
MLS003178717C22H22F3NO4S453.4768 / 04.5Yes
CHEMBL53014C30H26N2O3462.5494 / 16.2No
BAS 07119486C14H11ClN2O3290.7034 / 12.5Yes
CHEMBL87636C41H64N14O11S2993.1714 / 12-4.5No
CHEMBL108552C25H31FN4O5S518.6047 / 15.8No
SMR000103620C15H14ClNO2S307.7923 / 03.3Yes
2-[(quinolin-2-ylcarbonyl)amino]benzoic acidC17H12N2O3292.2944 / 23.4Yes
CHEMBL467153C21H20N4O3376.4166 / 03.3Yes
MLS000334386C17H14ClNOS2347.8753 / 14.9Yes
CHEMBL3685907C21H29N3O3371.4814 / 23.5Yes
CHEMBL292103C11H19NO2S229.3384 / 11.5Yes
SR-01000759072-1C17H19N5OS341.4335 / 03.0Yes
MLS001080940C19H16ClFN2O3374.7964 / 14.1Yes
CHEMBL2419495C23H24F2N4O5S506.52510 / 12.7No
CHEMBL283914C35H38Cl2N4O6681.6116 / 45.9No
SMR000199339C22H18N2O6406.3946 / 13.9Yes
CHEMBL354419C20H18N6O2374.4047 / 11.8Yes
CHEMBL392115C19H23N5O3369.4255 / 11.4Yes
SMR000218521C27H26N4O2438.5315 / 14.9Yes
MLS000624282C19H21N7O3S427.4838 / 00.8Yes
2-chloro-5-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamideC17H12ClN5O5S433.8238 / 22.4Yes
CHEMBL1209572C24H33N3O379.5482 / 04.4Yes
MLS001105136C20H29N3O4S407.5296 / 02.0Yes
CHEMBL3799847C20H18ClN5O4S459.9058 / 31.6Yes
CHEMBL1514741C27H22N4O418.53 / 25.4No
CHEMBL3093599C31H22N2O4486.5275 / 25.7No
MLS000998893C17H24ClN3O321.8493 / 22.5Yes
CHEMBL1808881C21H23ClN2O354.8782 / 04.3Yes
O-(2,6-dimethyl-4-{2-[(4-methylphenyl)sulfanyl]acetyl}phenyl) N,N-dimethylcarbamothioateC20H23NO2S2373.5294 / 05.3No
CHEMBL3938334C30H41N9O543.729 / 12.7No
CHEMBL137298C26H35FN4O2454.596 / 04.6Yes
CHEMBL43821C35H36ClNO3S2618.2476 / 28.1No
MLS000728709C12H8N4O3S2320.3417 / 22.1Yes
UPCMLD04ASTW002105C28H31N3O3457.5744 / 24.3Yes
SCHEMBL2693704C17H19N3O281.3593 / 23.1Yes
SMR000082502C18H25N3O3331.4165 / 03.3Yes
CHEMBL1224263C23H25NO2347.4583 / 14.8Yes
H-Aba-Gly-Gly-Phe-Leu-OHC29H37N7O6S611.71810 / 7-0.2No
SMR000033466C21H23FN4O4414.4377 / 21.8Yes
1-methoxy-N-(4-methoxyphenyl)-2-naphthamideC19H17NO3307.3493 / 13.9Yes
AC1LZEB6C25H25N2O3P432.465 / 16.0No
CHEMBL508276C20H14ClFNNaO3393.7745 / 0N/AN/A
CHEMBL3793159C26H29ClN4O448.9954 / 16.8No
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,6-dimethylphenyl)tetrahydro-1(2H)-pyrazinecarboxamideC21H25N3O3367.4494 / 13.1Yes
CHEMBL293070C26H34N4O418.5853 / 15.1No
CHEMBL70924C30H34N6O6S606.69810 / 34.9No
CHEMBL212715C32H37FN4O2528.6724 / 14.9No
4-(2,3-Dimethyl-phenyl)-piperazine-1-carbothioic acid (2-methoxy-phenyl)-amideC20H25N3OS355.53 / 14.0Yes
CHEMBL65708C16H17N3O267.3323 / 24.0Yes
BDBM50321606C80H98N18O141535.7817 / 182.2No
AC1MXB69C21H15F3N4O5460.3698 / 31.8Yes
AC1OIZI8C21H20N2O5380.45 / 03.1Yes
CHEMBL201611C26H29N5O4475.5495 / 23.9Yes
CHEMBL238552C15H13N3235.293 / 03.2Yes
CHEMBL70889C28H32N4O2456.593 / 23.4Yes
CHEMBL246500C20H22N4O3S398.4817 / 11.9Yes
CHEMBL3828530C20H26N6O3398.4676 / 01.7Yes
CHEMBL93594C15H23NO3S297.4134 / 02.9Yes
CHEMBL504065C32H33F3N4O5S642.6949 / 45.2No
AC1MALL6C23H27NO4381.4725 / 03.8Yes
AC1OITFYC16H11ClN2O282.7272 / 13.7Yes
MLS001193102C19H16ClFN4O2S418.8716 / 13.8Yes
CHEMBL3360364C21H20N4O2360.4176 / 13.4Yes
CHEMBL2023576C27H34N2O4450.5794 / 25.1No
MLS002240565C28H40N2O6S532.6968 / 05.7No
MLS002240555C28H40N2O6S532.6968 / 05.7No
MLS001360569C19H12O4304.3014 / 23.7Yes
CHEMBL404260C20H22BrClN4O2465.7764 / 33.5Yes
CHEMBL3648215C24H20Cl2N4O2467.355 / 04.7Yes
US8933079, 7.13C24H25ClN4O4468.9387 / 11.9Yes
BDBM142208C24H25ClN4O4468.9387 / 11.9Yes
CHEMBL333028C20H23ClFN3O3407.877 / 13.4Yes
MLS001250366C19H18N2O5354.3625 / 03.3Yes
MLS001250356C19H18N2O5354.3625 / 03.3Yes
CHEMBL2304197C17H20Cl2O6391.2416 / 12.5Yes
MLS000557918C20H24N4O2352.4384 / 13.7Yes
CHEMBL1923030C18H31BrN4S415.4383 / 3N/AN/A
CHEMBL72287C22H16N2O324.3833 / 04.0Yes
SCHEMBL3413519C32H38N6O2538.6968 / 16.5No
SCHEMBL2044598C47H43Cl2N5O7860.7899 / 28.2No
AC1MPSGEC25H26N4O398.513 / 14.4Yes
CHEMBL347750C21H28N2O2340.4673 / 33.5Yes
SMR000068630C20H17ClN4O2S412.8926 / 04.0Yes
diamide 7C22H22N2O3S394.4894 / 34.8Yes
CHEMBL209176C21H29N3O2S387.5425 / 13.6Yes
CHEMBL402422C22H26N6O2S438.558 / 03.4Yes
CHEMBL33996C13H15N5O2273.2965 / 32.8Yes
AC1MLDRXC16H25N3O2S323.4554 / 12.6Yes
BAS 06989119C16H17N7O2339.3598 / 21.9Yes
CHEMBL1171291C28H37N3O3463.6224 / 14.8Yes
AC1LGLHSC16H19BrN2O335.2453 / 03.8Yes
N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamideC22H21FN2O3S412.4795 / 14.0Yes
AC1MLG45C21H27FN4O2S418.5316 / 14.3Yes
N'-(2,5-dichlorophenyl)-4-propylbenzohydrazideC16H16Cl2N2O323.2172 / 25.7No
CHEMBL73661C28H40N2O2S468.74 / 06.2No
MLS002694292C25H29NO2375.5122 / 05.2No
CHEMBL3287694C25H29FO6444.4997 / 26.3No
CHEMBL1807021C21H25Cl2N3390.3523 / 16.2No
2,N,N-Trimethyl-5-(4-oxo-3,4-dihydro-phthalazin-1-yl)-benzenesulfonamideC17H17N3O3S343.4015 / 12.2Yes
CHEMBL18979C24H19NO4385.4195 / 14.7Yes
MLS000339638C20H22N4OS366.4833 / 35.5No
MLS002724452C23H25N5O2403.4866 / 13.4Yes
CHEMBL343723C31H39N4O11PS706.70412 / 52.4No
CHEMBL574352C13H12N4O240.2663 / 11.4Yes
MLS000779584C19H14Cl2N4O385.2483 / 14.0Yes
CID 46876614C12H17N7O4323.31310 / 5-0.8Yes
1-(3-chlorophenyl)-N-(3-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineC20H18ClN5363.8494 / 15.1No
MLS000520884C18H25N3O2S2379.5375 / 03.9Yes
CHEMBL3218648C28H30ClN3O2S508.0775 / 05.8No
CHEMBL50722C27H38N2O9534.60610 / 2N/ANo
CHEMBL3646994C29H34N4438.6193 / 16.8No
CHEMBL3741776C20H30N4O2358.4864 / 13.4Yes
MLS000113318C16H18N2O3S318.3915 / 12.8Yes
CHEMBL24809C22H25N3331.4632 / 04.3Yes
AC1NI6MBC19H23N3O2S357.4724 / 03.2Yes
CHEMBL1171006C20H12ClF4NO5S489.82210 / 25.1No
CHEMBL1436510C22H19NO5S409.4566 / 14.2Yes
CHEMBL2030117C16H18Cl2N2O2341.2323 / 14.2Yes
SCHEMBL14466685C27H30N4O4474.5616 / 42.3Yes
MLS000094908C15H17N5O2S331.3946 / 11.9Yes
SCHEMBL1549396C29H26N2O6498.5357 / 15.1No
CHEMBL2170701C50H68N10O6905.1588 / 94.7No
MLS001174913C17H18N2O4S346.4015 / 22.8Yes
2-acetyl-5,5-dichloro-N-(2-methoxyphenyl)pent-4-enamideC14H15Cl2NO3316.1783 / 13.7Yes
CHEMBL1762707C31H39Cl3N8O2662.0579 / 14.6No
CHEMBL1271276C21H28N4O2368.4814 / 11.3Yes
CHEMBL603701C23H22N2O5406.4386 / 22.8Yes
2-hydroxy-N'-(4-methylphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazideC23H18F6N2O2468.3999 / 36.6No
CHEMBL1202934C17H27ClN2OS342.9263 / 1N/AN/A
CHEMBL317843C38H50N10O6742.8828 / 71.0No
AC1MG6WRC18H29BrClNO2406.7893 / 2N/AN/A
MLS001110800C18H24N2O4S3428.587 / 04.1Yes
CHEMBL268964C13H12ClN5O2305.7224 / 22.2Yes
2-amino-4-[(4-bromobenzyl)sulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrileC19H19BrN4S415.3535 / 25.4No
NCGC00011561C20H17N3O2331.3755 / 14.1Yes
AC1O2HI3C21H26N2O4S2434.5696 / 13.0Yes
MLS001122981C20H21BrN2O3S449.3634 / 12.9Yes
MLS001142118C26H29N3O6S511.5938 / 23.0No
6088-51-3C20H14O2S2350.454 / 25.8No
MLS000730667C19H26ClN3O2363.8864 / 13.6Yes
CHEMBL3975079C20H23F3N4O4440.42310 / 13.4Yes
CHEMBL399652C35H35N5O2557.6985 / 25.9No
CHEMBL129194C26H20F3N5O475.4758 / 16.2No
CHEMBL220386C21H21FN6O5456.43410 / 41.3Yes
CHEMBL151416C29H36N2O428.623 / 16.5No
CHEMBL3696970C20H21NO5S387.456 / 22.3Yes
CHEMBL315280C27H21ClN2O7520.9228 / 25.3No
AC1ND9AIC19H18N2O2S338.4254 / 14.0Yes
Oprea1_480237C18H16N2O5S372.3956 / 23.3Yes
CHEMBL23096C28H28IN3S565.5174 / 0N/ANo
[Glu3]PACAP38C204H333N63O53S4548.3667 / 68-17.8No
CHEMBL1938943C23H16F3N3O2423.3957 / 14.6Yes
CHEMBL310866C17H12Cl2N2315.1971 / 04.1Yes
CHEMBL2369967C70H85N17O161420.5518 / 18-2.5No
CHEMBL2096721C70H85N17O161420.5518 / 19-2.2No
CHEMBL559013C21H21N5O359.4334 / 11.7Yes
MLS000673602C20H20FN5O4S2477.5298 / 22.8Yes
CHEMBL504349C34H42FN5O4603.7396 / 34.3No
CHEMBL1171886C21H24ClN3O2385.8924 / 03.9Yes
CHEMBL601457C27H33N3O2S463.645 / 05.1No
CHEMBL595981C25H32ClN3O5S522.0577 / 14.9No
MLS001100648C21H26N2O4370.4495 / 03.3Yes
CCK-A Agonist 20C37H36N4O4600.7194 / 16.4No
SCHEMBL2237381C21H24ClF3N2O2428.887 / 32.9Yes
CHEMBL129931C18H23NO269.3882 / 14.1Yes
5-(4,5-dimethyl-3-thienyl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiolC16H17N3S2315.4533 / 14.0Yes
N-[2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-ethyl]-3,4-dimethyl-benzenesulfonamideC14H20N4O2S308.45 / 12.1Yes
CHEMBL2371240C44H65N15O11S21044.2214 / 12-4.4No
CHEMBL200680C27H27FN4O2458.5375 / 13.3Yes
CHEMBL1362485C26H29N5O2443.5515 / 22.8Yes
CHEMBL372528C29H31Cl2N5O3568.4994 / 34.7No
CHEMBL1834895C44H51N3O9765.90412 / 43.2No
CHEMBL1834901C44H51N3O9765.90412 / 43.2No
NCGC00011842C20H21N3O3351.4066 / 13.6Yes
N-cyclohexyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamideC20H30N2O4S394.535 / 23.8Yes
6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(3-hydroxypropyl)hexanamideC21H24N2O4368.4334 / 22.1Yes
AC1NKOA3C25H24N4O3428.4924 / 23.5Yes
SCHEMBL2344848C35H41N7O2591.765 / 53.7No
MLS000674186C14H14N2O2S274.3384 / 02.2Yes
MLS001110611C21H32N6OS416.5886 / 13.0Yes
CHEMBL420678C26H22N2O3410.4734 / 14.7Yes
[4-(4-chlorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl][3-(trifluoromethyl)phenyl]methanoneC19H17ClF3NO367.7965 / 04.6Yes
CHEMBL230253C23H31NO337.5072 / 15.3No
CHEMBL336251C25H30F6N2O488.5189 / 06.0No
CHEMBL1456724C27H25N3O4455.5145 / 23.6Yes
CHEMBL355289C17H22BrN3348.2883 / 05.2No
CHEMBL3278371C48H75N15O141086.2215 / 15-4.1No
CHEMBL1896635C22H29N3O2367.4934 / 03.3Yes
(2S)-3-{[(3-chloro-4-methyl-5-sulfophenyl)carbamoyl]amino}-2-(methylamino)propanoic acidC12H16ClN3O6S365.7857 / 5-2.4Yes
CHEMBL313070C24H26F6N2O472.4758 / 15.4No
CHEMBL101072C37H54N4O3602.8645 / 45.9No
141872-46-0C23H23N7O2429.4848 / 23.8Yes
MLS001210350C18H20N4O3340.3836 / 03.5Yes
CHEMBL338639C33H58N12O5702.9068 / 10-0.6No
SCHEMBL18547662C37H33ClF3N3O2644.1357 / 16.3No
CHEMBL2316265C21H26N4O3382.4645 / 13.5Yes
CHEMBL2011719C19H20N4O2S368.4556 / 03.5Yes
MLS000080860C16H16O5S2352.4195 / 11.4Yes
MLS001206870C19H13NO7367.3137 / 03.8Yes
CHEMBL75367C32H38Cl2F6N4O4727.5713 / 16.0No
CHEMBL75436C32H38Cl2F6N4O4727.5713 / 16.0No
SMR000201334C23H18N2O5S434.4666 / 14.6Yes
AC1LIE4SC18H25N3S315.4792 / 14.1Yes
BDBM233337C31H32ClNO5534.0495 / 27.3No
BDBM233338C31H32ClNO5534.0495 / 27.3No
1-(3,4-dimethoxy-2-methylphenyl)-2-(3,4-dimethoxyphenyl)ethanoneC19H22O5330.385 / 03.5Yes
4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrileC20H18N4S346.4524 / 04.3Yes
CHEMBL195285C22H28N2O4384.4765 / 20.9Yes
ASN 04456313C19H20N6O3S2444.5287 / 12.8Yes
CHEMBL3104183C27H34FN5O2479.67 / 05.0Yes
CHEMBL467578C25H15BrClFNNaO3534.7415 / 0N/ANo
CHEMBL2314291C23H19ClN2O3406.8664 / 05.1No
AC1M6GU5C17H27NO5325.4055 / 11.9Yes
CHEMBL273208C20H20N2O2320.3924 / 13.7Yes
AC1M4T7DC19H15F3N4S388.4127 / 05.7No
CHEMBL2205715C18H24IN381.3011 / 15.3No
CHEMBL3099950C22H25ClFN3O4449.9076 / 32.7Yes
MLS001149208C19H16FNOS325.4013 / 04.6Yes
CHEMBL255649C20H16N4O3S392.4337 / 13.3Yes
CHEMBL213752C34H44N6O3584.7655 / 43.6No
CHEMBL210009C34H44N6O3584.7655 / 43.6No
CHEMBL213956C34H44N6O3584.7655 / 43.6No
CHEMBL210011C34H44N6O3584.7655 / 43.6No
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methoxy-2-naphthamideC25H18N2O3394.434 / 15.5No
CHEMBL91069C26H29N3O5463.5345 / 23.9Yes
AC1N3GHNC20H20N2O3336.3913 / 23.4Yes
CHEMBL551964C27H25N5O2451.537 / 04.3Yes
CID 10072510C27H25N5O2451.537 / 04.3Yes
CHEMBL327478C29H33ClN2445.0472 / 06.4No
MLS000766557C29H25NO6483.526 / 23.9Yes
CHEMBL2381280C25H19F3O5456.4178 / 15.0Yes
4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamideC20H23N3O2S369.4834 / 23.3Yes
ethyl 4-(cyclopropylamino)-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateC15H20N4O2288.3515 / 12.8Yes
F2666-0021C18H15FN2O2310.3283 / 12.3Yes
CHEMBL1939014C16H14N2O4298.2985 / 11.7Yes
CHEMBL265501C54H75N11O15S21182.3818 / 17-2.4No
MLS000518625C33H30FN3O3535.6194 / 15.8No
CHEMBL566177C25H18BrCl2FN4O5S656.3049 / 25.5No
CHEMBL2374412C19H24N6O4400.4399 / 51.6Yes
SMR000243773C22H23ClN2O5S2495.0057 / 24.4Yes
AC1MKMXEC22H25N3O347.4623 / 24.9Yes
MLS001004780C18H21Cl2NO2354.2713 / 13.9Yes
AC1MGWH5C20H22ClN3O2371.8653 / 12.7Yes
CHEMBL604764C21H25N5O4411.4628 / 42.3Yes
CHEMBL2235589C21H25N5O4411.4628 / 42.3Yes
CHEMBL3954502C25H29N3O4435.5246 / 23.4Yes
847036-36-6C23H23F3N2O4448.4429 / 13.3Yes
MLS000556999C18H21N3O295.3864 / 03.6Yes
MLS000084601C17H12ClN7S381.8426 / 03.7Yes
CHEMBL143825C23H27ClN2O382.9323 / 14.5Yes
CHEMBL489412C23H29ClN4O5476.9587 / 32.9Yes
CHEMBL217400C23H23FN2O4410.4456 / 13.2Yes
SCHEMBL2027169C25H26N6O426.5245 / 12.5Yes
N-pyridin-3-yl-N'-(3,4,5-triethoxybenzoyl)thioureaC19H23N3O4S389.476 / 23.5Yes
124864-27-3C20H26FNO2331.4314 / 13.7Yes
MLS001125329C19H15BrN2O3S431.3044 / 14.0Yes
CHEMBL39835C14H11FN2O3S306.3116 / 22.2Yes
CHEMBL398003C23H31N3O3397.5194 / 30.8Yes
SMR000623719C29H29N5O5527.5819 / 12.6No
CHEMBL206480C17H24N4284.4074 / 13.2Yes
2-(2-Ethylsulfanyl-pyridin-3-yl)-1H-benzoimidazoleC14H13N3S255.3393 / 13.4Yes
AC1N0VTVC19H22N2O3326.3964 / 12.6Yes
MLS000704699C19H23NO2297.3982 / 24.5Yes
Maybridge1_007696C12H14N4S246.3323 / 22.5Yes
CHEMBL1689001C25H31BrFN3O4536.4427 / 14.1No
CHEMBL348312C25H20ClF3N6O3544.91910 / 26.3No
AC1MFT9LC20H23NO2309.4092 / 14.7Yes
CHEMBL1394899C24H37N3O4431.5777 / 04.0Yes
CHEMBL237313C23H28BrN2O2+444.3932 / 05.1No
ZINC00147887C17H20N2O3S332.4184 / 22.9Yes
SMR000023022C19H24N2O5360.415 / 00.8Yes
AC1NAGR7C24H23F3N2O3444.4546 / 14.6Yes
CHEMBL481614C25H22Cl2F2N2O4S555.4186 / 14.7No
CHEMBL3974905C11H13N159.2321 / 12.1Yes
CHEMBL3912463C11H13N159.2321 / 12.1Yes
5-phenylpent-4-yn-2-amineC11H13N159.2321 / 12.1Yes
2-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-ethylhydrazinecarbothioamideC9H14ClN5OS275.7553 / 31.2Yes
CHEMBL1592400C19H22N2O2310.3972 / 14.1Yes
CHEMBL1076715C32H40N6O3556.7118 / 04.8No
CHEMBL3215641C19H24Cl2N2O2S415.3735 / 5N/AN/A
CHEMBL144128C28H38N6O2490.6526 / 42.3Yes
CHEMBL2448125C20H22ClN3O355.8663 / 02.6Yes
CHEMBL2111767C20H22ClN3O355.8663 / 02.6Yes
CHEMBL326821C20H22ClN3O355.8663 / 02.6Yes
MLS002252873C21H21N3O3S395.4775 / 13.1Yes
CHEMBL322693C27H35FN2O2438.5875 / 13.1Yes
MLS000535573C21H18N2O2S2394.5075 / 15.3No
CHEMBL514574C25H16ClF2NO3451.8546 / 16.3No
MLS000679864C14H10O4242.234 / 02.3Yes
CHEMBL3970177C22H20FN3O2377.4194 / 13.4Yes
ASN 05569839C27H38N4O5498.6246 / 23.6Yes
CHEMBL3655594C18H13N5O2331.3356 / 11.9Yes
MLS002156773C23H20FN5O2S449.5048 / 03.3Yes
CHEMBL3288129C24H27ClN4O4S503.0147 / 13.4No
CHEMBL1162205C24H24FN4O9P562.44710 / 40.4No
CHEMBL2204471C22H16F3N3O3427.3837 / 13.4Yes
2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinoneC18H11BrO3355.1873 / 03.7Yes
CHEMBL3114517C21H17N3O327.3872 / 24.2Yes
CHEMBL1775177C22H28N6O5S488.5639 / 01.9Yes
CHEMBL499689C37H52N4O5632.8466 / 35.2No
SMR000095640C24H25N5O3S463.5566 / 13.5Yes
CHEMBL117121C16H10F3N3OS349.3317 / 13.6Yes
CHEMBL1904464C24H25ClN4O2S469.05 / 15.1No
5-ethyl-N'-[(2-methyl-1H-indol-3-yl)methylene]-3-thiophenecarbohydrazideC17H17N3OS311.4033 / 23.9Yes
CHEMBL596706C19H25ClN2OS364.9323 / 04.9Yes
CHEMBL134025C16H22N4O286.3794 / 01.3Yes
MLS000331038C24H21NO3371.4364 / 24.9Yes
MLS001110659C23H24N2O2360.4572 / 14.5Yes
CHEMBL3262366C34H43NO4529.7215 / 25.8No
butyl {3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}acetateC19H30N4O2346.4754 / 13.0Yes
MLS000774474C17H14N2O3294.314 / 13.0Yes
CHEMBL256585C32H34F3N3O5S629.6959 / 05.9No
CHEMBL570400C16H11BrClN3360.6393 / 15.2No
CHEMBL317297C30H34N2O2454.6144 / 15.6No
CHEMBL61426C24H23F3N2O2428.4556 / 05.3No
CHEMBL176974C22H17NO3343.3823 / 25.6No
CHEMBL1369756C20H23N3O321.4242 / 13.8Yes
CHEMBL190551C45H67N13O8918.11410 / 10-0.2No
CHEMBL1172272C20H23Cl2N3O2408.3234 / 04.7Yes
CHEMBL3968537C21H20O4336.3874 / 14.6Yes
SMR000021736C27H34N4O3462.5946 / 14.4Yes
CHEMBL1090186C21H27N3O2353.4665 / 02.5Yes
7-(5-bromo-2-fluorophenyl)-5-(5-bromothien-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidineC15H9Br2FN4S456.1315 / 15.3No
MLS000324754C18H9F6NO3401.26410 / 04.3Yes
CHEMBL420876C29H32N2408.5892 / 16.0No
CHEMBL316842C29H32N2408.5892 / 16.0No
SCHEMBL1569723C31H24Cl3NO6612.8846 / 27.7No
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamideC19H17F2N3O341.3624 / 14.1Yes
CHEMBL307235C23H28Cl2N2O3451.3884 / 04.5Yes
CHEMBL70311C23H28Cl2N2O3451.3884 / 04.5Yes
CHEMBL210140C22H23FN4O378.4515 / 14.6Yes
SMR000147339C13H10F3N3265.2396 / 13.4Yes
SMR000153558C24H22N4O3S2478.5857 / 14.3Yes
CHEMBL3105385C22H33N5O4S463.5976 / 33.0Yes
CHEMBL522435C26H17F3N4O4S538.5019 / 14.3No
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperidine-1-carbothioamideC21H29N5S383.5584 / 13.5Yes
CHEMBL294865C36H60N2O4584.8866 / 27.4No
SCHEMBL4379186C17H21Cl3N2O2391.7173 / 1N/AN/A
N-(2-aminoethyl)-4-chlorobenzamideC9H11ClN2O198.652 / 20.7Yes
MLS000325599C20H16F3NO2S2423.4687 / 15.6No
CHEMBL3899484C24H32N4O3424.5455 / 23.4Yes
CHEMBL2178747C22H29N3O3S415.5526 / 13.6Yes
CHEMBL1767416C10H17N3O11P2417.20411 / 6-4.1No
CHEMBL213444C28H25ClN6O496.9995 / 14.6Yes
SCHEMBL15987910C27H35N5O4493.6086 / 13.0Yes
CHEMBL299164C34H41N7O2579.7496 / 25.4No
CHEMBL306218C21H20N2O4364.4016 / 13.4Yes
AC1NH6CNC20H21ClN2O4388.8484 / 13.5Yes
CHEMBL213491C31H32Cl2N4O547.5244 / 16.5No
MLS000580038C24H26N4O8S2562.61210 / 23.0No
CHEMBL188182C16H16N2O2S300.3763 / 11.8Yes
CHEMBL268938C33H25F4N5O583.5917 / 16.5No
CHEMBL604115C23H21ClN2O376.8842 / 15.2No
CHEMBL3758684C23H30ClN3O2415.9623 / 24.9Yes
1-({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidineC15H15ClN2O3S338.8064 / 04.5Yes
SMR000130791C23H24FN3O2S425.5225 / 03.3Yes
MLS000119828C18H21N3O3327.3844 / 12.5Yes
SMR000064170C23H21N5O2399.4544 / 22.5Yes
3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-oneC16H13F2NO2289.2824 / 03.2Yes
AC1PO0TLC19H20N6O3S412.4687 / 21.8Yes
AC1NG5QXC20H20N2O9S464.44510 / 11.7Yes
SMR001275995C21H22FN3O4399.4226 / 23.9Yes
CHEMBL1643587C28H37N3O3S2527.7427 / 15.6No
CHEMBL1214659C17H19BrF2N4O413.2675 / 02.7Yes
CHEMBL333069C29H33N3O439.6033 / 16.5No
WIN-51708C29H33N3O439.6033 / 16.5No
SMR000253373C31H33N3O4511.6225 / 15.7No
AC1MJ5WTC11H8N2O2200.1974 / 02.3Yes
CHEMBL3613133C25H19N5O2S2485.589 / 15.1No
AC1LY0JMC12H12N4O4276.2526 / 2-0.3Yes
MLS001005662C12H13Cl4N3S373.1173 / 2N/AN/A
MLS000094175C17H18N2O2S3378.5236 / 14.4Yes
MLS000040609C17H20N4O296.3744 / 13.5Yes
BAS 08768511C18H17N3O3S355.4125 / 22.7Yes
CHEMBL1173436C22H24N4O2376.463 / 22.9Yes
Leukotriene C3C30H49N3O9S627.79411 / 71.3No
MLS003588096C26H29F3N4O5534.5369 / 2N/ANo
AC1NMPDCC22H23N3O5S441.5026 / 12.5Yes
1-{2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl}piperazineC18H28N2O6368.438 / 3N/AN/A
CHEMBL76237C19H22N2O3S358.4564 / 03.5Yes
SMR000016668C22H20N6O4432.447 / 11.9Yes
CHEMBL102825C23H19NO5389.4076 / 13.4Yes
MLS001125201C21H16N4O340.3864 / 12.9Yes
AC1LCNHIC14H12ClFN4290.7266 / 3N/AN/A
CHEMBL554291C23H25N3O5423.4696 / 12.5Yes
MLS000518234C23H24O6396.4396 / 04.2Yes
CHEMBL1097065C21H30N4O3386.4965 / 01.5Yes
CHEMBL2413512C21H22FN7O407.4537 / 02.9Yes
CHEMBL3670630C21H22FN7O407.4537 / 02.9Yes
MLS000118627C23H20N6O3S2492.5728 / 13.8Yes
MLS001094991C16H18N2O4S334.395 / 11.9Yes
2-(5-(2-methoxyphenyl)pyrimidin-4-yl)-5-((2-methylallyl)oxy)phenolC21H20N2O3348.4025 / 14.3Yes
CHEMBL2370378C63H97N17O111268.5814 / 140.8No
3-CYANO-5-HYDROXYBENZOIC ACIDC8H5NO3163.1324 / 20.9Yes
CHEMBL34239C20H23N3O321.4243 / 12.8Yes
CHEMBL1314411C24H30N4OS422.5915 / 16.0No
AC1N2RNRC21H26BrNO3420.3473 / 03.7Yes
AC1MDWOBC21H28N2O324.4682 / 04.7Yes
AC1M6QPGC19H22N2O4342.3954 / 12.3Yes
CHEMBL2037465C8H6BrNO2S260.1053 / 22.7Yes
CHEMBL1828896C20H26ClN5O387.9125 / 05.2No
CHEMBL265894C56H78N16O10S1167.414 / 131.5No
MLS003545665C29H24ClFN4O3530.9845 / 46.3No
MLS000861254C20H18Cl2N2O2389.2763 / 15.5No

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