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# | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
---|---|---|---|---|---|---|
43201 | ZY1 CHEMBL539436 ZINC000038998652 |
1 | C32 H38 N4 O5 S | InChI=1S/C32H38N4O5S/c1-4 -24-21-36-13-14-42(39,40) 35(2)29-18-25(17-27(24)31 (29)36)32(38)34-28(16-22- 9-6-5-7-10-22)30(37)20-33 -19-23-11-8-12-26(15-23)4 1-3/h5-12,15,17-18,21,28, 30,33,37H,4,13-14,16,19-2 0H2,1-3H3,(H,34,38)/t28-, 30+/m0/s1; MNGUVHPNHVMEDL-MFMCTBQISA-N |
O=C(c2cc3c1n(cc(c1c2)CC)CCS(=O)(=O)N3C)N C(Cc4ccccc4)C(O)CNCc5cccc(OC)c5; CCc1cn2 c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4cc ccc4)C(CNCc5cccc(c5)OC)O; CCc1cn2CC[S](= O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4cccc c4)[CH](O)CNCc5cccc(OC)c5; CCc1cn2CC[S]( =O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc4c cccc4)[C@H](O)CNCc5cccc(OC)c5; CCc1cn2c3 c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H] (Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O |
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide |
43202 | ZY2 ZINC000038998944 |
1 | C32 H41 N5 O5 S | InChI=1S/C32H41N5O5S/c1-4 -36-13-14-37-15-16-43(40, 41)35(2)28-19-25(20-29(36 )31(28)37)32(39)34-27(18- 23-9-6-5-7-10-23)30(38)22 -33-21-24-11-8-12-26(17-2 4)42-3/h5-12,17,19-20,27, 30,33,38H,4,13-16,18,21-2 2H2,1-3H3,(H,34,39)/t27-, 30+/m0/s1; UKAHVQYVCSVAKY-BHBYDHKZSA-N |
CCN1CCN2CCS(=O)(=O)N(c3c2c1cc(c3)C(=O)NC (Cc4ccccc4)C(CNCc5cccc(c5)OC)O)C; CCN1CC N2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@ H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C; O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(OC)c2)c5 cc4c3c(N(CCN3CCS(=O)(=O)N4C)CC)c5; CCN1C CN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C @@H](Cc4ccccc4)[C@H](O)CNCc5cccc(OC)c5; CCN1CCN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(= O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5 |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE |
43203 | ZY3 ZINC000038998991 |
1 | C31 H40 N4 O5 S | InChI=1S/C31H40N4O5S/c1-4 -33-27-18-24(19-29-26(27) 14-9-15-41(38,39)35(29)2) 31(37)34-28(17-22-10-6-5- 7-11-22)30(36)21-32-20-23 -12-8-13-25(16-23)40-3/h5 -8,10-13,16,18-19,28,30,3 2-33,36H,4,9,14-15,17,20- 21H2,1-3H3,(H,34,37)/t28- ,30+/m0/s1; JAQQVYMOVUUAHB-MFMCTBQISA-N |
CCNc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[ CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4; CC Nc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[C@ @H](Cc3ccccc3)[C@H](O)CNCc4cccc(OC)c4; C CNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H] (Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O; O=C (c1cc2c(c(NCC)c1)CCCS(=O)(=O)N2C)NC(Cc3c cccc3)C(O)CNCc4cccc(OC)c4; CCNc1cc(cc2c1 CCCS(=O)(=O)N2C)C(=O)NC(Cc3ccccc3)C(CNCc 4cccc(c4)OC)O |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE |
43204 | ZY4 ZINC000038998945 |
1 | C29 H38 N4 O6 S | InChI=1S/C29H38N4O6S/c1-3 -33-18-21-11-14-40(37,38) 32(2)24-16-22(17-25(33)27 (21)24)28(34)31-26(15-20- 7-5-4-6-8-20)29(35,36)19- 30-23-9-12-39-13-10-23/h4 -8,16-18,23,26,30,35-36H, 3,9-15,19H2,1-2H3,(H,31,3 4)/t26-/m0/s1; LMEDJLLRHRUTJN-SANMLTNESA-N |
CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N C(Cc4ccccc4)C(CNC5CCOCC5)(O)O; CCn1cc2CC [S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc 4ccccc4)C(O)(O)CNC5CCOCC5; O=C(NC(Cc1ccc cc1)C(O)(O)CNC2CCOCC2)c5cc3n(cc4c3c(N(C) S(=O)(=O)CC4)c5)CC; CCn1cc2c3c1cc(cc3N(S (=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(C NC5CCOCC5)(O)O; CCn1cc2CC[S](=O)(=O)N(C) c3cc(cc1c23)C(=O)N[C@@H](Cc4ccccc4)C(O)( O)CNC5CCOCC5 |
N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE |
43205 | ZY5 CHEMBL1162395 ZINC000040950313 |
10 | C18 H18 N2 O2 | InChI=1S/C18H18N2O2/c1-22 -17-11-16(21)7-6-13(17)10 -14-4-3-9-20-18(14)15-5-2 -8-19-12-15/h2,5-8,10-12, 21H,3-4,9H2,1H3/b14-10+; KXAAIPFSUGPVMQ-GXDHUFHOSA-N |
COc1cc(O)ccc1\C=C2/CCCN=C2c3cccnc3; COc1 cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O; Oc1ccc( c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3; COc1cc( O)ccc1C=C2CCCN=C2c3cccnc3; COc1cc(ccc1C= C2CCCN=C2c3cccnc3)O |
4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL |
43206 | ZY6 CHEMBL562314 DB08774 ZINC000039001862 |
1 | C17 H19 N5 O | InChI=1S/C17H19N5O/c18-8- 13-11-22(6-7-23-13)16-14( 12-4-2-1-3-5-12)9-19-17-1 5(16)10-20-21-17/h1-5,9-1 0,13H,6-8,11,18H2,(H,19,2 0,21)/t13-/m0/s1; YBRZCAKSBYWZTC-ZDUSSCGKSA-N |
n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN; c 1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[n H]3; NC[C@H]1CN(CCO1)c2c3cn[nH]c3ncc2c4c cccc4; NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4 ccccc4; c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN )cn[nH]3 |
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine |
43207 | ZY7 CHEMBL134713 DB05708 ZINC000000000860 |
10 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c1-22 -17-8-7-14(18(12-17)23-2) 11-15-5-4-10-21-19(15)16- 6-3-9-20-13-16/h3,6-9,11- 13H,4-5,10H2,1-2H3/b15-11 +; RPYWXZCFYPVCNQ-RVDMUPIBSA-N |
COc1ccc(\C=C2/CCCN=C2c3cccnc3)c(OC)c1; O (c1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3)C ; COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 ; COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3; C Oc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1 |
(3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE |
43208 | ZY8 CHEMBL100940 ZINC000003874478 |
8 | C26 H25 N O4 | InChI=1S/C26H25NO4/c28-18 -8-7-15-11-20-26(29)12-17 -16-3-1-2-4-19(16)30-22(1 7)24-25(26,21(15)23(18)31 -24)9-10-27(20)13-14-5-6- 14/h1-4,7-8,14,20,24,28-2 9H,5-6,9-13H2/t20-,24+,25 +,26-/m1/s1; ZHVWWEYETMPAMX-IFKAHUTRSA-N |
c1ccc2c(c1)c3c(o2)C4C56CCN(C(C5(C3)O)Cc7 c6c(c(cc7)O)O4)CC8CC8; Oc1ccc2C[CH]3N(CC [C]45[CH](Oc1c24)c6oc7ccccc7c6C[C]35O)CC 8CC8; c1ccc2c(c1)c3c(o2)[C@H]4[C@@]56CCN ([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC 8CC8; Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc 1c24)c6oc7ccccc7c6C[C@@]35O)CC8CC8; OC12 Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1 )CCC32c54 |
(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol |
43209 | ZY9 ZINC000035269649 |
0 | C7 H8 N2 O2 | InChI=1S/C7H8N2O2/c8-4-5- 2-1-3-6(9-5)7(10)11/h1-3H ,4,8H2,(H,10,11); KKWKBQBRQWNTPN-UHFFFAOYSA-N |
NCc1cccc(n1)C(O)=O; c1cc(nc(c1)C(=O)O)CN | 6-(aminomethyl)pyridine-2-carboxylic acid |
43210 | ZYA CHEMBL68828 DB08775 ZINC000026272137 |
1 | C21 H23 F N2 O5 | InChI=1S/C21H23FN2O5/c1-1 4(19(26)12-22)23-20(27)18 (11-15-7-9-17(25)10-8-15) 24-21(28)29-13-16-5-3-2-4 -6-16/h2-10,14,18,25H,11- 13H2,1H3,(H,23,27)(H,24,2 8)/t14-,18-/m0/s1; RYABQRLJLIHDIP-KSSFIOAISA-N |
CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(= O)OCc2ccccc2; C[C@H](NC(=O)[C@H](Cc1ccc( O)cc1)NC(=O)OCc2ccccc2)C(=O)CF; C[CH](NC (=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C (=O)CF; FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc 1)Cc2ccc(O)cc2)C; CC(C(=O)CF)NC(=O)C(Cc1 ccc(cc1)O)NC(=O)OCc2ccccc2 |
BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE; Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide |
43211 | ZYB ZINC000012649842 |
0 | C7 H7 F N2 O | InChI=1S/C7H7FN2O/c8-6-3- 1-5(2-4-6)7(9)10-11/h1-4, 11H,(H2,9,10); OSUPWUQRPLIJKX-UHFFFAOYSA-N |
NC(=N\O)/c1ccc(F)cc1; NC(=NO)c1ccc(F)cc1 ; c1cc(ccc1C(=NO)N)F; c1cc(ccc1/C(=N/O)/ N)F; Fc1ccc(C(=N\O)\N)cc1 |
4-Fluorobenzamidoxime |
43212 | ZYC CHEMBL286796 DB11285 ZINC000000160496 |
7 | C12 H14 O4 | InChI=1S/C12H14O4/c1-3-16 -12(14)7-5-9-4-6-10(13)11 (8-9)15-2/h4-8,13H,3H2,1- 2H3/b7-5+; ATJVZXXHKSYELS-FNORWQNLSA-N |
CCOC(=O)C=Cc1ccc(c(c1)OC)O; CCOC(=O)/C=C /c1ccc(c(c1)OC)O; CCOC(=O)\C=C\c1ccc(O)c (OC)c1; CCOC(=O)C=Cc1ccc(O)c(OC)c1; O=C( OCC)\C=C\c1cc(OC)c(O)cc1 |
ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; ethyl ferulate |
43213 | ZYD ZINC000095920986 |
1 | C27 H44 O3 | InChI=1S/C27H44O3/c1-20-2 2(18-23(28)19-25(20)29)13 -12-21-10-8-16-27(17-9-11 -24(21)27)15-7-5-4-6-14-2 6(2,3)30/h12-13,23-25,28- 30H,1,4-11,14-19H2,2-3H3/ b21-12+,22-13-/t23-,24+,2 5+,27-/m1/s1; FJGYNKGWOKETAA-AXVRRUDCSA-N |
CC(C)(O)CCCCCC[C@@]12CCC[C@H]1C(/CCC2)=C /C=C3/C[C@@H](O)C[C@H](O)C3=C; OC3C(=C)\ C(=C/C=C1\CCCC2(CCCCCCC(O)(C)C)CCCC12)CC (O)C3; CC(C)(CCCCCCC12CCCC1C(=CC=C3CC(CC (C3=C)O)O)CCC2)O; CC(C)(CCCCCC[C@@]12CCC [C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O) O)/CCC2)O; CC(C)(O)CCCCCC[C]12CCC[CH]1C( CCC2)=CC=C3C[CH](O)C[CH](O)C3=C |
(1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol |
43214 | ZYE CHEMBL529838 ZINC000038998431 |
1 | C33 H38 N4 O4 | InChI=1S/C33H38N4O4/c1-3- 36-16-14-27-29(36)19-25(2 0-30(27)37-15-8-13-32(37) 39)33(40)35-28(18-23-9-5- 4-6-10-23)31(38)22-34-21- 24-11-7-12-26(17-24)41-2/ h4-7,9-12,14,16-17,19-20, 28,31,34,38H,3,8,13,15,18 ,21-22H2,1-2H3,(H,35,40)/ t28-,31+/m0/s1; BARAICYUEPEIRD-QCENPCRXSA-N |
CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](C c4ccccc4)[C@H](O)CNCc5cccc(OC)c5; CCn1cc c2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4cccc c4)[C@@H](CNCc5cccc(c5)OC)O; CCn1ccc2c1c c(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4)C(CNCc5 cccc(c5)OC)O; CCn1ccc2c1cc(cc2N3CCCC3=O) C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC )c5; O=C5N(c1cc(cc2c1ccn2CC)C(=O)NC(Cc3c cccc3)C(O)CNCc4cccc(OC)c4)CCC5 |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE |
43215 | ZYF ZINC000098209684 |
3 | C37 H53 N5 O12 | InChI=1S/C37H53N5O12/c1-2 5(23-31(44)38-27-16-11-14 -22-42(52)36(27)49)54-37( 50)28(39-34(48)29-24-53-3 5(40-29)26-15-9-10-18-30( 26)43)17-12-13-21-41(51)3 2(45)19-7-5-3-2-4-6-8-20- 33(46)47/h7,9-10,15,18-19 ,25,27-29,43,51-52H,2-6,8 ,11-14,16-17,20-24H2,1H3, (H,38,44)(H,39,48)(H,46,4 7)/b19-7-/t25-,27-,28-,29 -/m0/s1; DRNVRDPDTBNRNR-SFCJKLQFSA-N |
C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O) [C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC (=O)[C@@H]2COC(=N2)c3ccccc3O; O=C(NC(C(= O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)CCCCN(O)C (=O)\C=C/CCCCCCCC(=O)O)C2N=C(OC2)c3c(O)c ccc3; C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)OC( =O)[CH](CCCCN(O)C(=O)C=CCCCCCCCC(O)=O)NC (=O)[CH]2COC(=N2)c3ccccc3O; C[C@@H](CC(= O)N[C@H]1CCCCN(O)C1=O)OC(=O)[C@H](CCCCN( O)C(=O)\C=C/CCCCCCCC(O)=O)NC(=O)[C@@H]2C OC(=N2)c3ccccc3O; CC(CC(=O)NC1CCCCN(C1=O )O)OC(=O)C(CCCCN(C(=O)C=CCCCCCCCC(=O)O)O )NC(=O)C2COC(=N2)c3ccccc3O |
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43216 | ZYG ZINC000098209685 |
1 | C35 H53 N5 O12 | InChI=1S/C35H53N5O12/c1-2 3(21-29(42)36-25-14-9-12- 20-40(50)34(25)47)52-35(4 8)26(37-32(46)27-22-51-33 (38-27)24-13-7-8-16-28(24 )41)15-10-11-19-39(49)30( 43)17-5-3-2-4-6-18-31(44) 45/h7-8,13,16,23,25-27,35 ,41,48-50H,2-6,9-12,14-15 ,17-22H2,1H3,(H,36,42)(H, 37,46)(H,44,45)/t23-,25-, 26-,27-,35+/m0/s1; IAYIKQLBDQWIRR-QMSOLXAJSA-N |
C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)O[CH](O)[ CH](CCCCN(O)C(=O)CCCCCCCC(O)=O)NC(=O)[CH ]2COC(=N2)c3ccccc3O; O=C(NC(CCCCN(O)C(=O )CCCCCCCC(=O)O)C(O)OC(C)CC(=O)NC1C(=O)N( O)CCCC1)C2N=C(OC2)c3c(O)cccc3; CC(CC(=O) NC1CCCCN(C1=O)O)OC(C(CCCCN(C(=O)CCCCCCCC (=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O)O; C[C @@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C @H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@ @H]2COC(=N2)c3ccccc3O)O; C[C@@H](CC(=O)N [C@H]1CCCCN(O)C1=O)O[C@@H](O)[C@H](CCCCN (O)C(=O)CCCCCCCC(O)=O)NC(=O)[C@@H]2COC(= N2)c3ccccc3O |
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43217 | ZYH CHEMBL1615314 ZINC000064746721 |
1 | C25 H30 N6 O2 | InChI=1S/C25H30N6O2/c32-2 4(19-7-8-21-22(15-19)33-2 3(28-21)18-5-2-1-3-6-18)3 1-16-20(17-31)29-11-13-30 (14-12-29)25-26-9-4-10-27 -25/h4,7-10,15,18,20H,1-3 ,5-6,11-14,16-17H2; IABLYMUVWHQTGC-UHFFFAOYSA-N |
O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc( oc5c4)C6CCCCC6; O=C(c1ccc2nc(oc2c1)C3CCC CC3)N6CC(N5CCN(c4ncccn4)CC5)C6; c1cnc(nc 1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n 5)C6CCCCC6 |
(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone |
43218 | ZYI CHEMBL1689794 |
2 | C14 H15 Cl N2 O2 | InChI=1S/C14H15ClN2O2/c15 -10-5-6-12-11(8-10)16-14( 19-12)17-13(18)7-9-3-1-2- 4-9/h5-6,8-9H,1-4,7H2,(H, 16,17,18); QXFNONNLQZPIAQ-UHFFFAOYSA-N |
Clc1ccc2oc(NC(=O)CC3CCCC3)nc2c1; c1cc2c( cc1Cl)nc(o2)NC(=O)CC3CCCC3; Clc1cc2nc(oc 2cc1)NC(=O)CC3CCCC3 |
N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide |
43219 | ZYJ ZINC000066157148 |
0 | C14 H18 N2 O5 | InChI=1S/C14H18N2O5/c1-19 -12-4-3-9(5-13(12)20-2)7- 16-21-10-6-11(14(17)18)15 -8-10/h3-5,7,10-11,15H,6, 8H2,1-2H3,(H,17,18)/b16-7 +/t10-,11+/m1/s1; JZPOVOVBIVKIMT-HJILZNIMSA-N |
O=C(O)C2NCC(O\N=C\c1ccc(OC)c(OC)c1)C2; C Oc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(= O)O; COc1ccc(cc1OC)C=NOC2CC(NC2)C(=O)O; COc1ccc(/C=N/O[C@H]2CN[C@@H](C2)C(O)=O)c c1OC; COc1ccc(C=NO[CH]2CN[CH](C2)C(O)=O) cc1OC |
(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
43220 | ZYK ZINC000066157149 |
0 | C14 H18 N2 O6 | InChI=1S/C14H18N2O6/c1-20 -11-4-3-8(5-12(11)21-2)13 (17)16-22-9-6-10(14(18)19 )15-7-9/h3-5,9-10,15H,6-7 H2,1-2H3,(H,16,17)(H,18,1 9)/t9-,10+/m1/s1; WPKMWFSKVVSYBX-ZJUUUORDSA-N |
COc1ccc(cc1OC)C(=O)NO[C@H]2CN[C@@H](C2)C (O)=O; COc1ccc(cc1OC)C(=O)NO[CH]2CN[CH]( C2)C(O)=O; COc1ccc(cc1OC)C(=O)NO[C@@H]2C [C@H](NC2)C(=O)O; COc1ccc(cc1OC)C(=O)NOC 2CC(NC2)C(=O)O; O=C(NOC1CC(C(=O)O)NC1)c2 ccc(OC)c(OC)c2 |
(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline; 3,4-dimethoxybenzamidoxy proline |
43221 | ZYL CHEMBL2063256 ZINC000084669316 |
1 | C19 H23 N O5 | InChI=1S/C19H23NO5/c1-2-3 -4-5-11-25-15-8-6-7-14(12 -15)13-20-10-9-16(21)17(1 8(20)22)19(23)24/h6-10,12 ,21H,2-5,11,13H2,1H3,(H,2 3,24); IEFKPWNGVIDYEA-UHFFFAOYSA-N |
O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc 2; CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O )O)O; CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2 =O)O)c1 |
1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
43222 | ZYM ZINC000084669313 |
1 | C19 H19 N O5 | InChI=1S/C19H19NO5/c21-17 (19(23)24)13-18(22)20-11- 5-7-14-6-4-10-16(12-14)25 -15-8-2-1-3-9-15/h1-4,6,8 -10,12H,5,7,11,13H2,(H,20 ,22)(H,23,24); SJGQLSMZNBWNEL-UHFFFAOYSA-N |
c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O )O; O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1) ccc2; OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccc cc2)c1 |
2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid |
43223 | ZYN CHEMBL1237000 ZINC000034086839 |
1 | C21 H23 Cl F N3 O4 | InChI=1S/C21H23ClFN3O4/c1 -11(2)26-17(20(29)24(3)4) 13-7-8-25(19(28)16(13)18( 27)21(26)30)10-12-5-6-15( 23)14(22)9-12/h5-6,9,11,2 7H,7-8,10H2,1-4H3; HFCJYZIWLQSWGP-UHFFFAOYSA-N |
CC(C)N1C(=O)C(=C2C(=O)N(CCC2=C1C(=O)N(C) C)Cc3ccc(F)c(Cl)c3)O; Fc1ccc(cc1Cl)CN3C( =O)C2=C(O)C(=O)N(C(=C2CC3)C(=O)N(C)C)C(C )C; CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3 ccc(c(c3)Cl)F)C(=O)N(C)C |
6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide |
43224 | ZYO ZINC000103562908 |
1 | C22 H24 Cl F N6 O5 S | InChI=1S/C22H24ClFN6O5S/c 1-4-27-10-12(2)30-17-16(1 9(31)18(30)22(27)33)21(32 )28(11-13-5-6-15(24)14(23 )9-13)25-20(17)29-8-7-26( 3)36(29,34)35/h5-6,9,12,3 1H,4,7-8,10-11H2,1-3H3/t1 2-/m0/s1; DXTGTNDZQFNYNI-LBPRGKRZSA-N |
CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3 N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C; CCN1C[C@H](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c (Cl)c4)N=C(N5CCN(C)[S]5(=O)=O)c23)C1=O; CCN1CC(n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CCN (S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C; O=S5(=O) N(C1=NN(C(=O)c3c1n2c(C(=O)N(CC)CC2C)c3O) Cc4ccc(F)c(Cl)c4)CCN5C; CCN1C[CH](C)n2c( c(O)c3C(=O)N(Cc4ccc(F)c(Cl)c4)N=C(N5CCN( C)[S]5(=O)=O)c23)C1=O |
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione |
43225 | ZYP CHEMBL414850 |
1 | C20 H19 F N4 O4 S | InChI=1S/C20H19FN4O4S/c21 -14-7-5-13(6-8-14)12-23-2 0(27)17-18(26)16-15(4-3-9 -22-16)19(24-17)25-10-1-2 -11-30(25,28)29/h3-9,26H, 1-2,10-12H2,(H,23,27); DIDKWCOCQJWMDJ-UHFFFAOYSA-N |
O=S4(=O)N(c2nc(C(=O)NCc1ccc(F)cc1)c(O)c3 ncccc23)CCCC4; c1cc2c(c(c(nc2N3CCCCS3(=O )=O)C(=O)NCc4ccc(cc4)F)O)nc1; Oc1c(nc(N2 CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F) cc4 |
5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide |
43226 | ZYQ CHEMBL562743 DB08776 ZINC000008994842 |
1 | C9 H11 N3 O2 S | InChI=1S/C9H11N3O2S/c1-5( 13)11-9-12-6-3-2-4-10-8(1 4)7(6)15-9/h2-4H2,1H3,(H, 10,14)(H,11,12,13); OYHOEDBNAJPFKK-UHFFFAOYSA-N |
O=C1NCCCc2nc(sc12)NC(=O)C; CC(=O)Nc1nc2c (s1)C(=O)NCCC2; CC(=O)Nc1sc2C(=O)NCCCc2n 1 |
N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE |
43227 | ZYR CHEMBL539906 DB08777 ZINC000017920988 |
1 | C10 H10 N2 O S | InChI=1S/C10H10N2OS/c13-9 -8-6-3-1-2-4-7(6)14-10(8) 12-5-11-9/h5H,1-4H2,(H,11 ,12,13); NMMOEJUJKIXUQZ-UHFFFAOYSA-N |
C1CCc2c(c3c(s2)N=CNC3=O)C1; O=C1c2c3c(sc 2N=CN1)CCCC3; O=C1NC=Nc2sc3CCCCc3c12 |
5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE |
43228 | ZYS CHEMBL570537 DB08778 ZINC000001398629 |
1 | C14 H17 N3 O S | InChI=1S/C14H17N3OS/c1-14 (2,3)17-13-16-12(15)11(19 -13)10(18)9-7-5-4-6-8-9/h 4-8H,15H2,1-3H3,(H,16,17); KEHNGAHNKVLUSC-UHFFFAOYSA-N |
CC(C)(C)Nc1sc(c(N)n1)C(=O)c2ccccc2; O=C( c1sc(nc1N)NC(C)(C)C)c2ccccc2; CC(C)(C)Nc 1nc(c(s1)C(=O)c2ccccc2)N |
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone |
43229 | ZYT DB08779 ZINC000100037029 |
1 | C9 H10 N2 O S2 | InChI=1S/C9H10N2OS2/c1-13 -9-10-7(8(12)11-9)5-6-3-2 -4-14-6/h2-4,12H,5H2,1H3, (H,10,11); QWYGHJVEZLVLSU-UHFFFAOYSA-N |
CSc1[nH]c(Cc2sccc2)c(O)n1; CSc1[nH]c(c(n 1)O)Cc2cccs2; Oc1nc(SC)nc1Cc2sccc2 |
2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol |
43230 | ZYU CHEMBL271138 DB08780 ZINC000018107770 |
1 | C9 H11 N5 O | InChI=1S/C9H11N5O/c1-3-15 -4-2-14(1)9-7-8(11-5-10-7 )12-6-13-9/h5-6H,1-4H2,(H ,10,11,12,13); MEOMXKNIFWDDGZ-UHFFFAOYSA-N |
C1CN(CCO1)c2ncnc3[nH]cnc23; n2cnc1c(ncn1 )c2N3CCOCC3; c1[nH]c2c(n1)c(ncn2)N3CCOCC 3 |
6-MORPHOLIN-4-YL-9H-PURINE; 4-(9H-PURIN-6-YL)MORPHOLINE |
43231 | ZYV ZINC000039001860 |
1 | C10 H14 N6 O | InChI=1S/C10H14N6O/c11-3- 7-4-16(1-2-17-7)10-8-9(13 -5-12-8)14-6-15-10/h5-7H, 1-4,11H2,(H,12,13,14,15)/ t7-/m0/s1; VNGSDLIBIYNHKQ-ZETCQYMHSA-N |
NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23; n1cnc3n cnc3c1N2CC(OCC2)CN; NC[C@H]1CN(CCO1)c2nc nc3nc[nH]c23; c1[nH]c2c(n1)ncnc2N3CCOC(C 3)CN; c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN |
1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE; (4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE |
43232 | ZYW DB08781 ZINC000039001861 |
1 | C11 H14 Br N5 O | InChI=1S/C11H14BrN5O/c12- 9-5-14-11-8(4-15-16-11)10 (9)17-1-2-18-7(3-13)6-17/ h4-5,7H,1-3,6,13H2,(H,14, 15,16)/t7-/m0/s1; BJUBFXSKTBULRW-ZETCQYMHSA-N |
c1c2c(c(cnc2[nH]n1)Br)N3CCOC(C3)CN; Brc1 cnc3c(c1N2CC(OCC2)CN)cnn3; c1c2c(c(cnc2[ nH]n1)Br)N3CCO[C@H](C3)CN; NC[CH]1CN(CCO 1)c2c(Br)cnc3[nH]ncc23; NC[C@H]1CN(CCO1) c2c(Br)cnc3[nH]ncc23 |
1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE |
43233 | ZYX CHEMBL7087 DB08782 ZINC000000056629 |
1 | C8 H12 N2 O2 S | InChI=1S/C8H12N2O2S/c9-6- 5-7-1-3-8(4-2-7)13(10,11) 12/h1-4H,5-6,9H2,(H2,10,1 1,12); FXNSVEQMUYPYJS-UHFFFAOYSA-N |
c1cc(ccc1CCN)S(=O)(=O)N; NCCc1ccc(cc1)[S ](N)(=O)=O; O=S(=O)(c1ccc(cc1)CCN)N |
4-(2-AMINOETHYL)BENZENESULFONAMIDE; P-AMINOETHYL BENZENESULFONAMIDE |
43234 | ZYY ZINC000035985610 |
1 | C22 H26 F N5 O5 S | InChI=1S/C22H26FN5O5S/c1- 12(2)26-10-13(3)28-17-16( 19(29)18(28)22(26)31)21(3 0)27(11-14-6-8-15(23)9-7- 14)24-20(17)25(4)34(5,32) 33/h6-9,12-13,29H,10-11H2 ,1-5H3/t13-/m0/s1; ITPCGSTZGSTIFB-ZDUSSCGKSA-N |
O=S(=O)(N(C3=NN(C(=O)c2c3n1c(C(=O)N(CC1C )C(C)C)c2O)Cc4ccc(F)cc4)C)C; CC1CN(C(=O) c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc 4ccc(cc4)F)C(C)C; CC(C)N1C[CH](C)n2c(c(O )c3C(=O)N(Cc4ccc(F)cc4)N=C(N(C)[S](C)(=O )=O)c23)C1=O; CC(C)N1C[C@H](C)n2c(c(O)c3 C(=O)N(Cc4ccc(F)cc4)N=C(N(C)[S](C)(=O)=O )c23)C1=O; C[C@H]1CN(C(=O)c2n1c3c(c2O)C( =O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C )C |
N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide |
43235 | ZYZ DB08783 |
1 | C16 H23 N O6 Se | InChI=1S/C16H23NO6Se/c1-1 6(2,3)23-15(19)17-13(14(1 8)22-4)9-11-5-7-12(8-6-11 )10-24(20)21/h5-8,13H,9-1 0H2,1-4H3,(H,17,19)(H,20, 21)/t13-/m0/s1; CEUSGDKNGCAEAX-ZDUSSCGKSA-N |
O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se ](=O)O; CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1 )C[Se](=O)O)C(=O)OC; COC(=O)[C@H](Cc1ccc (C[Se](O)=O)cc1)NC(=O)OC(C)(C)C; CC(C)(C )OC(=O)NC(Cc1ccc(cc1)C[Se](=O)O)C(=O)OC; COC(=O)[CH](Cc1ccc(C[Se](O)=O)cc1)NC(=O )OC(C)(C)C |
(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid |
43236 | ZZ0 CHEMBL1237007 DB08784 ZINC000001329537 |
1 | C12 H9 Cl N2 O2 | InChI=1S/C12H9ClN2O2/c13- 8-3-5-9(6-4-8)15-11-10(12 (16)17)2-1-7-14-11/h1-7H, (H,14,15)(H,16,17); YEXIXVLEDGNAKM-UHFFFAOYSA-N |
Clc1ccc(cc1)Nc2ncccc2C(=O)O; c1cc(c(nc1) Nc2ccc(cc2)Cl)C(=O)O; OC(=O)c1cccnc1Nc2c cc(Cl)cc2 |
2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID; 2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID |
43237 | ZZ1 CHEMBL12279 DB08785 ZINC000000300858 |
7 | C10 H8 O2 | InChI=1S/C10H8O2/c1-7-6-1 0(11)12-9-5-3-2-4-8(7)9/h 2-6H,1H3; PSGQCCSGKGJLRL-UHFFFAOYSA-N |
O=C2Oc1ccccc1C(=C2)C; CC1=CC(=O)Oc2c1ccc c2; CC1=CC(=O)Oc2ccccc12 |
4-METHYL-2H-CHROMEN-2-ONE; 4-METHYLUMBELLIFERYL |
43238 | ZZ2 CHEMBL538937 DB08786 |
1 | C8 H13 N3 O2 | InChI=1S/C8H13N3O2/c1-6-5 -7(11-8(9)10-6)13-4-3-12- 2/h5H,3-4H2,1-2H3,(H2,9,1 0,11); VCJHOFUOIQHNBC-UHFFFAOYSA-N |
O(c1nc(nc(c1)C)N)CCOC; Cc1cc(nc(n1)N)OCC OC; COCCOc1cc(C)nc(N)n1 |
4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine; 4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine |
43239 | ZZ3 CHEMBL541949 ZINC000000076642 |
4 | C5 H8 N4 S | InChI=1S/C5H8N4S/c1-3-7-4 (6)9-5(8-3)10-2/h1-2H3,(H 2,6,7,8,9); CQORBMDQIUWHGC-UHFFFAOYSA-N |
Cc1nc(nc(n1)SC)N; CSc1nc(C)nc(N)n1; S(c1 nc(nc(n1)N)C)C |
4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE |
43240 | ZZ4 CHEMBL549340 DB08787 ZINC000100037036 |
1 | C16 H11 Cl2 N5 | InChI=1S/C16H11Cl2N5/c17- 10-6-7-12(13(18)8-10)15-1 4(9-20-16(19)21-15)23-22- 11-4-2-1-3-5-11/h1-9H,(H2 ,19,20,21)/b23-22+; UNJMNJFPEVJCQK-GHVJWSGMSA-N |
c1ccc(cc1)N=Nc2cnc(nc2c3ccc(cc3Cl)Cl)N; Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl; Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N ; c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl )N |
4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine; 4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE |
43241 | ZZ5 CHEMBL554496 DB08788 ZINC000019940178 |
1 | C17 H15 N5 O2 S | InChI=1S/C17H15N5O2S/c1-2 -24-9-5-3-8(4-6-9)11-10(7 -18)15(20)22-17-12(11)13( 19)14(25-17)16(21)23/h3-6 H,2,19H2,1H3,(H2,20,22)(H 2,21,23); UOPQHPBCVYHSFF-UHFFFAOYSA-N |
N#Cc1c(c2c(nc1N)sc(c2N)C(=O)N)c3ccc(OCC) cc3; CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O )N)N)N)C#N; CCOc1ccc(cc1)c2c(C#N)c(N)nc3 sc(C(N)=O)c(N)c23 |
3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE |
43242 | ZZ6 CHEMBL563168 DB08789 ZINC000036966108 |
1 | C15 H12 Cl2 N4 O S | InChI=1S/C15H12Cl2N4OS/c1 -2-19-13(22)11-6-9-12(20- 15(18)21-14(9)23-11)8-4-3 -7(16)5-10(8)17/h3-6H,2H2 ,1H3,(H,19,22)(H2,18,20,2 1); YPEOXUOUTBMBCX-UHFFFAOYSA-N |
CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1 ; Clc3ccc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(C l)c3; CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc 3Cl)Cl |
2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE |
43243 | ZZ7 CHEMBL1237008 ZINC000034064298 |
37 | C16 H21 N3 O5 S | InChI=1S/C16H21N3O5S/c1-1 6(2)11(15(23)24)19-13(25- 16)10(14(21)22)18-12(20)9 (17)8-6-4-3-5-7-8/h3-7,9- 11,13,19H,17H2,1-2H3,(H,1 8,20)(H,21,22)(H,23,24)/t 9-,10+,11+,13-/m1/s1; KDAWOPKDXRJNHV-MPPDQPJWSA-N |
CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O) [C@H](N)c2ccccc2)C(O)=O; O=C(NC(C(=O)O)C 1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N; CC1(C (NC(S1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O) O)C; CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O) NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; CC1(C) S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2c cccc2)C(O)=O |
(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid; AMPICILLIN (open form) |
43244 | ZZ8 ZINC000000037858 |
6 | C9 H9 N O3 | InChI=1S/C9H9NO3/c1-6(11) 10-8-5-3-2-4-7(8)9(12)13/ h2-5H,1H3,(H,10,11)(H,12, 13); QSACCXVHEVWNMX-UHFFFAOYSA-N |
O=C(Nc1ccccc1C(=O)O)C; CC(=O)Nc1ccccc1C( O)=O; CC(=O)Nc1ccccc1C(=O)O |
2-(ACETYLAMINO)BENZOIC ACID; N-ACETYLANTHRANILATE |
43245 | ZZ9 ZINC000058661296 |
0 | C21 H36 N5 O8 P | InChI=1S/C21H36N5O8P/c1-2 -3-4-5-6-7-8-9-10-15(27)3 4-35(30,31)32-11-14-17(28 )18(29)21(33-14)26-13-25- 16-19(22)23-12-24-20(16)2 6/h12-15,17-18,21,27-29H, 2-11H2,1H3,(H,30,31)(H2,2 2,23,24)/t14-,15-,17-,18- ,21-/m1/s1; DGBHISUNYLJTLF-SQDDPSDBSA-N |
CCCCCCCCCCC(O)OP(=O)(O)OCC1C(C(C(O1)n2cn c3c2ncnc3N)O)O; CCCCCCCCCC[C@H](O)O[P@@] (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2 cnc3c2ncnc3N)O)O; O=P(O)(OC(O)CCCCCCCCCC )OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCCCCC CCCC[CH](O)O[P](O)(=O)OC[CH]1O[CH]([CH]( O)[CH]1O)n2cnc3c(N)ncnc23; CCCCCCCCCC[C@ H](O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O) [C@@H]1O)n2cnc3c(N)ncnc23 |
5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine |
43246 | ZZA CHEMBL406105 DB08790 ZINC000004218283 |
2 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-6-11-12(7-8)9-4-2-1 -3-5-9/h1-7H,(H,13,14); ZROILLPDIUNLSE-UHFFFAOYSA-N |
OC(=O)c1cnn(c1)c2ccccc2; c1ccc(cc1)n2cc( cn2)C(=O)O; O=C(O)c1cn(nc1)c2ccccc2 |
1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
43247 | ZZB ZINC000263620651 |
1 | C19 H22 B F N6 O8 P | InChI=1S/C19H22BFN6O8P/c1 -2-23-12-4-10-9(3-11(12)2 1)5-31-20(10)34-15-13(6-3 2-36(28,29)30)33-19(16(15 )35-20)27-8-26-14-17(22)2 4-7-25-18(14)27/h3-4,7-8, 13,15-16,19,23H,2,5-6H2,1 H3,(H2,22,24,25)(H2,28,29 ,30)/q-1/t13-,15-,16-,19- ,20+/m1/s1; KLENTOAZKNOXCI-JNRNKGNBSA-N |
CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O) =O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F; [B-]12(c3cc(c(cc3CO1)F)NCC)OC4C(OC(C4O2) n5cnc6c5ncnc6N)COP(=O)(O)O; CCNc1cc2c(CO [B-]23O[C@@H]4[C@@H](CO[P](O)(O)=O)O[C@H ]([C@@H]4O3)n5cnc6c(N)ncnc56)cc1F; [B@@- ]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[ C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O) O |
[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE |
43248 | ZZC | 7 | C15 H21 N5 O13 P2 | InChI=1S/C15H23N5O13P2/c1 -6(21)10(23)7(22)2-30-34( 26,27)33-35(28,29)31-3-8- 11(24)12(25)15(32-8)20-5- 19-9-13(16)17-4-18-14(9)2 0/h4-5,7-8,10-12,15,22-25 H,2-3H2,1H3,(H,26,27)(H,2 8,29)(H2,16,17,18)/p-2/t7 -,8-,10+,11-,12-,15-/m1/s 1; IZTPERUWNZCNNH-GHVQHMAVSA-L |
CC(=O)C(C(COP(=O)([O-])OP(=O)([O-])OCC1C (C(C(O1)n2cnc3c2ncnc3N)O)O)O)O; CC(=O)[C @H](O)[C@H](O)CO[P]([O-])(=O)O[P]([O-])( =O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc 3c(N)ncnc23; CC(=O)[C@@H]([C@@H](CO[P@]( =O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]( [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O; CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]( [O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cn c3c(N)ncnc23 |
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE |
43249 | ZZD CHEMBL392695 ZINC000003861261 |
4 | C22 H21 N O2 S | InChI=1S/C22H21NO2S/c23-2 0(21(24)25)16-26-22(17-10 -4-1-5-11-17,18-12-6-2-7- 13-18)19-14-8-3-9-15-19/h 1-15,20H,16,23H2,(H,24,25 )/t20-/m0/s1; DLMYFMLKORXJPO-FQEVSTJZSA-N |
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H]( C(=O)O)N; c1ccc(cc1)C(c2ccccc2)(c3ccccc3 )SCC(C(=O)O)N; N[C@@H](CSC(c1ccccc1)(c2c cccc2)c3ccccc3)C(O)=O; N[CH](CSC(c1ccccc 1)(c2ccccc2)c3ccccc3)C(O)=O; O=C(O)C(N)C SC(c1ccccc1)(c2ccccc2)c3ccccc3 |
S-TRITYL-L-CYSTEINE |
43250 | ZZE CHEMBL571987 DB11649 ZINC000001912267 |
2 | C17 H18 N4 O2 | InChI=1S/C17H18N4O2/c1-3- 15-17(16(4-2)21(20-15)5-6 -22)23-14-8-12(10-18)7-13 (9-14)11-19/h7-9,22H,3-6H 2,1-2H3; MCPUZZJBAHRIPO-UHFFFAOYSA-N |
N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2; C Cc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N; CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N |
5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile |
43251 | ZZF CHEMBL585367 ZINC000039001864 |
1 | C18 H18 N4 O3 S | InChI=1S/C18H18N4O3S/c1-1 2-3-8-17(13(2)21-12)25-15 -9-10-20-18(11-15)22-14-4 -6-16(7-5-14)26(19,23)24/ h3-11H,1-2H3,(H,20,22)(H2 ,19,23,24); UEOZXMAOIHDDQE-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C) C)c3; Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc 3)S(=O)(=O)N; Cc1ccc(Oc2ccnc(Nc3ccc(cc3) [S](N)(=O)=O)c2)c(C)n1 |
4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE |
43252 | ZZG CHEMBL575099 ZINC000039001863 |
1 | C26 H26 N4 O4 | InChI=1S/C26H26N4O4/c1-16 -12-21(25(29-17(16)2)20-8 -6-7-10-27-20)34-19-9-11- 28-24(15-19)30-18-13-22(3 1-3)26(33-5)23(14-18)32-4 /h6-15H,1-5H3,(H,28,30); RNLQQRFAMDEKKT-UHFFFAOYSA-N |
Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c (c(c4)OC)OC)OC; COc1cc(Nc2cc(Oc3cc(C)c(C )nc3c4ccccn4)ccn2)cc(OC)c1OC; n1ccccc1c4 nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3 )C)C |
4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE |
43253 | ZZH CHEMBL489074 ZINC000045284038 |
1 | C22 H20 O3 | InChI=1S/C22H20O3/c23-22( 24)21(16-18-9-5-2-6-10-18 )25-20-13-11-19(12-14-20) 15-17-7-3-1-4-8-17/h1-14, 21H,15-16H2,(H,23,24)/t21 -/m0/s1; YVAQXSJDDQRTTP-NRFANRHFSA-N |
c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C (=O)O; OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cc3c cccc3)cc2; c1ccc(cc1)Cc2ccc(cc2)OC(Cc3cc ccc3)C(=O)O; O=C(O)C(Oc1ccc(cc1)Cc2ccccc 2)Cc3ccccc3; OC(=O)[CH](Cc1ccccc1)Oc2ccc (Cc3ccccc3)cc2 |
(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid |
43254 | ZZI ZINC000058650004 |
4 | C10 H21 N O4 | InChI=1S/C10H21NO4/c1-3-5 -11(6-4-2)10(15)9(14)8(13 )7-12/h8-9,12-14H,3-7H2,1 -2H3/t8-,9-/m1/s1; JYHQCIGUBKFYNN-RKDXNWHRSA-N |
CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O; CCCN (CCC)C(=O)[C@H](O)[C@H](O)CO; CCCN(CCC)C (=O)[CH](O)[CH](O)CO; CCCN(CCC)C(=O)C(C( CO)O)O; O=C(N(CCC)CCC)C(O)C(O)CO |
(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE |
43255 | ZZJ ZINC000020307999 |
0 | C4 H10 N2 O | InChI=1S/C4H10N2O/c1-3(6- 2)4(5)7/h3,6H,1-2H3,(H2,5 ,7)/t3-/m0/s1; QKNFFJHHPCWXTH-VKHMYHEASA-N |
CN[CH](C)C(N)=O; CN[C@@H](C)C(N)=O; O=C( N)C(NC)C; CC(C(=O)N)NC; C[C@@H](C(=O)N)N C |
N^2^-methyl-L-alaninamide |
43256 | ZZK CHEMBL590335 ZINC000045338211 |
1 | C19 H15 N3 O3 | InChI=1S/C19H15N3O3/c20-1 8-15(11-4-6-12(7-5-11)19( 21)23)8-13(9-22-18)14-2-1 -3-16-17(14)25-10-24-16/h 1-9H,10H2,(H2,20,22)(H2,2 1,23); UBOGEBHIZSQBBD-UHFFFAOYSA-N |
O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N ; c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc 4)C(=O)N; NC(=O)c1ccc(cc1)c2cc(cnc2N)c3c ccc4OCOc34 |
4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE |
43257 | ZZL CHEMBL259084 DB13061 ZINC000018825334 |
7 | C25 H15 Cl F2 N4 O2 | InChI=1S/C25H15ClF2N4O2/c 26-15-6-9-17-18(10-15)23( 21-19(27)2-1-3-20(21)28)2 9-11-14-12-30-25(32-22(14 )17)31-16-7-4-13(5-8-16)2 4(33)34/h1-10,12H,11H2,(H ,33,34)(H,30,31,32); HHFBDROWDBDFBR-UHFFFAOYSA-N |
c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4) Cl)Nc5ccc(cc5)C(=O)O)F; OC(=O)c1ccc(Nc2n cc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc 1; Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc 23)Nc4ccc(C(=O)O)cc4 |
4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID |
43258 | ZZM CHEMBL1213119 ZINC000058541984 |
1 | C15 H14 N6 | InChI=1S/C15H14N6/c1-10(2 )21-15-13(14(16)18-9-19-1 5)12(20-21)6-5-11-4-3-7-1 7-8-11/h3-4,7-10H,1-2H3,( H2,16,18,19); NYVMTNNWZOHTJT-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N; CC (C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13; n1c(c3 c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N |
1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE |
43259 | ZZN CHEMBL1213084 ZINC000051768787 |
1 | C28 H22 F N7 O2 | InChI=1S/C28H22FN7O2/c1-1 5-6-3-4-9-21(15)36-22(33- 20-8-5-7-16(2)23(20)28(36 )38)13-35-27-24(26(30)31- 14-32-27)25(34-35)17-10-1 8(29)12-19(37)11-17/h3-12 ,14,37H,13H2,1-2H3,(H2,30 ,31,32); AUNMZFMPIXHYCD-UHFFFAOYSA-N |
Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C( =O)N4c3ccccc3C)C)cc(O)c6; Cc1ccccc1N2C(= Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6) F)O)c(ncn5)N; Cc1ccccc1N2C(=Nc3cccc(C)c3 C2=O)Cn4nc(c5cc(O)cc(F)c5)c6c(N)ncnc46 |
2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
43260 | ZZO CHEMBL1213085 ZINC000051768788 |
1 | C28 H22 F N7 O2 | InChI=1S/C28H22FN7O2/c1-1 5-6-3-4-9-20(15)36-22(33- 19-8-5-7-16(2)23(19)28(36 )38)13-35-27-24(26(30)31- 14-32-27)25(34-35)17-10-1 1-21(37)18(29)12-17/h3-12 ,14,37H,13H2,1-2H3,(H2,30 ,31,32); TYLTZPAGUBOPCU-UHFFFAOYSA-N |
Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c( n4)c6ccc(c(c6)F)O)c(ncn5)N; Cc1ccccc1N2C (=Nc3cccc(C)c3C2=O)Cn4nc(c5ccc(O)c(F)c5) c6c(N)ncnc46; Fc6c(O)ccc(c2nn(c1ncnc(c12 )N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6 |
2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
43261 | ZZP ZINC000103563001 |
1 | C22 H19 F N4 O4 S | InChI=1S/C22H19FN4O4S/c1- 30-16-11-15(12-17(13-16)3 1-2)24-21-22(26-20-6-4-3- 5-19(20)25-21)27-32(28,29 )18-9-7-14(23)8-10-18/h3- 11,13H,12H2,1-2H3,(H,26,2 7)/b24-15+; WCHXKEIXBGDHMP-BUVRLJJBSA-N |
COC1=CC(=CC(=Nc2c(nc3ccccc3n2)NS(=O)(=O) c4ccc(cc4)F)C1)OC; COC1=CC(=CC(C1)=Nc2nc 3ccccc3nc2N[S](=O)(=O)c4ccc(F)cc4)OC; Fc 1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3\N=C2/C =C(OC)C=C(OC)C2; COC1=CC(=C/C(=N\c2c(nc3 ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC |
N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE |
43262 | ZZQ CHEMBL1213169 ZINC000058548010 |
1 | C25 H23 N5 O3 S | InChI=1S/C25H23N5O3S/c1-3 3-22-9-5-4-8-21(22)30-24( 32)17-6-2-3-7-18(17)29-25 (30)34-15-23(31)28-16-10- 11-19-20(14-16)27-13-12-2 6-19/h4-5,8-14H,2-3,6-7,1 5H2,1H3,(H,28,31); AXVDURNCPXUGDZ-UHFFFAOYSA-N |
COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)N c4ccc5c(c4)nccn5; O=C3C5=C(N=C(SCC(=O)Nc 2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5; COc1cc ccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5 nccnc5c4 |
2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE |
43263 | ZZR ZINC000103563006 |
0 | C3 H6 N7 | InChI=1S/C3H5N7/c4-1-6-3- 8-7-2(5)10(3)9-1/h(H5,4,5 ,6,7,8,9)/p+1; JFMHNXXJHXPFLE-UHFFFAOYSA-O |
Nc1[nH][n+]2c(N)n[nH]c2n1; n1c(N)n[n+]2c (nnc12)N; c1([nH][n+]2c(n[nH]c2n1)N)N |
3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium |
43264 | ZZS ZINC000001445475 |
0 | C3 H5 N5 | InChI=1S/C3H5N5/c4-2-6-1- 7-3(5)8-2/h1H,(H4,4,5,6,7 ,8); VZXTWGWHSMCWGA-UHFFFAOYSA-N |
n1c(nc(nc1)N)N; c1nc(nc(n1)N)N; Nc1ncnc( N)n1 |
1,3,5-TRIAZINE-2,4-DIAMINE |
43265 | ZZT CHEMBL398755 ZINC000000157578 |
4 | C8 H11 N O | InChI=1S/C8H11NO/c1-6-3-4 -8(10-2)7(9)5-6/h3-5H,9H2 ,1-2H3; WXWCDTXEKCVRRO-UHFFFAOYSA-N |
COc1ccc(C)cc1N; O(c1ccc(cc1N)C)C; Cc1ccc (c(c1)N)OC |
2-METHOXY-5-METHYLANILINE |
43266 | ZZU ZINC000013352215 |
9 | C6 H14 N4 O3 | InChI=1S/C6H14N4O3/c7-4(5 (12)13)3(11)1-2-10-6(8)9/ h3-4,11H,1-2,7H2,(H,12,13 )(H4,8,9,10)/t3-,4-/m0/s1; VIDUVSPOWYVZIC-IMJSIDKUSA-N |
C(CNC(=N)N)C(C(C(=O)O)N)O; O=C(O)C(N)C(O )CCNC(=[N@H])N; N[CH]([CH](O)CCNC(N)=N)C (O)=O; N[C@@H]([C@@H](O)CCNC(N)=N)C(O)=O ; C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O |
(2S,3S)-3-HYDROXYARGININE |
43267 | ZZV CHEMBL513189 ZINC000035078403 |
1 | C20 H18 F N3 O4 S | InChI=1S/C20H18FN3O4S/c1- 23(29(2,27)28)18-14-4-3-9 -22-17(14)19(25)16-15(18) 11-24(20(16)26)10-12-5-7- 13(21)8-6-12/h3-9,25H,10- 11H2,1-2H3; RJWBOLLTMJMYNV-UHFFFAOYSA-N |
C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc 4)F)O)S(=O)(=O)C; CN(c1c2CN(Cc3ccc(F)cc3 )C(=O)c2c(O)c4ncccc14)[S](C)(=O)=O; O=S( =O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F )cc4)C)C; CN(c1c2cccnc2c(c3c1CN(C3=O)Cc4 ccc(cc4)F)O)S(=O)(=O)C |
N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide |
43268 | ZZW ZINC000003818683 |
1 | C19 H14 F N3 O2 | InChI=1S/C19H14FN3O2/c20- 13-7-5-12(6-8-13)11-23-17 -4-2-1-3-14(17)15-9-16(19 (24)22-25)21-10-18(15)23/ h1-10,25H,11H2,(H,22,24); ADHFMENDOUEJRK-UHFFFAOYSA-N |
c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O) NO; ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4c cccc24; Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(= O)NO)cccc4 |
9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide |
43269 | ZZX CHEMBL1237018 ZINC000035801891 |
10 | C21 H21 Cl F N5 O4 | InChI=1S/C21H21ClFN5O4/c1 -4-26-8-10(2)28-16-14(18( 29)17(28)21(26)32)20(31)2 7(25-15(16)19(30)24-3)9-1 1-5-6-13(23)12(22)7-11/h5 -7,10,29H,4,8-9H2,1-3H3,( H,24,30)/t10-/m0/s1; JSRREMIKIHJGAA-JTQLQIEISA-N |
CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3 C(=O)NC)Cc4ccc(c(c4)Cl)F)C; CCN1CC(n2c3c (c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c( c4)Cl)F)C; CCN1C[C@H](C)n2c(c(O)c3C(=O)N (Cc4ccc(F)c(Cl)c4)N=C(C(=O)NC)c23)C1=O; CCN1C[CH](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c( Cl)c4)N=C(C(=O)NC)c23)C1=O; Fc1ccc(cc1Cl )CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O) C(=O)NC |
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide |
43270 | ZZY CHEMBL561660 DB08791 ZINC000043075275 |
1 | C14 H10 N4 O5 S | InChI=1S/C14H10N4O5S/c15- 14(19)9-7-12-10(16-8-9)5- 6-17(12)24(22,23)13-4-2-1 -3-11(13)18(20)21/h1-8H,( H2,15,19); USLOIFPDNUDIEG-UHFFFAOYSA-N |
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c 2cc(cn3)C(=O)N; NC(=O)c1cnc2ccn(c2c1)[S] (=O)(=O)c3ccccc3[N+]([O-])=O; [O-][N+](= O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N |
1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE |
43271 | ZZZ ZINC000036470936 |
1 | C7 H9 N5 O2 | InChI=1S/C7H9N5O2/c8-7-11 -5-4(6(14)12-7)10-3(2-13) 1-9-5/h2-3,10H,1H2,(H4,8, 9,11,12,14)/t3-/m1/s1; LBARDZPDAYELSB-GSVOUGTGSA-N |
C1C(NC2=C(N1)N=C(NC2=O)N)C=O; NC1=NC2=C( N[CH](CN2)C=O)C(=O)N1; NC1=NC2=C(N[C@H]( CN2)C=O)C(=O)N1; C1[C@@H](NC2=C(N1)N=C(N C2=O)N)C=O; O=CC1NC=2C(=O)NC(=NC=2NC1)N |
6-FORMYLTETRAHYDROPTERIN; (6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE |