PDB CCD ID: | AER |
Number of entries in BioLiP: | 16 |
Chemical formula: | C24 H31 N O |
InChI: | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 |
InChIKey: | GZOSMCIZMLWJML-VJLLXTKPSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5 | CACTVS 3.370 | C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5 | OpenEye OEToolkits 1.7.2 | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O | ACDLabs 12.01 | OC4CC3=CCC5C2C(C(c1cccnc1)=CC2)(C)CCC5C3(C)CC4 | OpenEye OEToolkits 1.7.2 | CC12CCC(CC1=CCC3C2CCC4(C3CC=C4c5cccnc5)C)O |
|
Name: | Abiraterone; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
ChEMBL: | CHEMBL254328 |
DrugBank: | DB05812 |
ZINC: | ZINC000003797541 |