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Ligand ID | 486 |
InChI | InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 |
InChIKey | VKHAHZOOUSRJNA-GCNJZUOMSA-N |
SMILES | Software | SMILES |
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ACDLabs 10.04 | O=C5C=C4C(=C3C(c1ccc(N(C)C)cc1)CC2(C(CCC2(C#CC)O)C3CC4)C)CC5 | OpenEye OEToolkits 1.5.0 | CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)c5ccc(cc5)N(C)C)C)O | CACTVS 3.341 | CC#C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3[CH](C[C]12C)c5ccc(cc5)N(C)C | OpenEye OEToolkits 1.5.0 | CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O | CACTVS 3.341 | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C |
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Formula | C29 H35 N O2 |
Name | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE; RU-486; MIFEPRISTONE |
ChEMBL | CHEMBL1276308 |
DrugBank | DB00834 |
ZINC | ZINC000003831128
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PDB chain | 3h52 Chain D Residue 2
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[View ligand structure]
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