PDB CCD ID: | 4OT |
Number of entries in BioLiP: | 1 |
Chemical formula: | C24 H21 F N4 O2 S |
InChI: | InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1 |
InChIKey: | HYBZWVLPALMACV-KRWDZBQOSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Cc1sc(c2ccccc2F)c(n1)C(=O)N3CCC[C@H]3Cc4oc(nn4)c5ccccc5 | ACDLabs 12.01 | C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5 | CACTVS 3.385 | Cc1sc(c2ccccc2F)c(n1)C(=O)N3CCC[CH]3Cc4oc(nn4)c5ccccc5 | OpenEye OEToolkits 1.9.2 | Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5 | OpenEye OEToolkits 1.9.2 | Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCCC3Cc4nnc(o4)c5ccccc5 |
|
Name: | [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone |
ChEMBL: | CHEMBL2110363 |
ZINC: | ZINC000065731313 |