Lilopristone
HIT212687625
sdf文件结构编辑类似物检索
HIT ID: HIT212687625
Cas No: 97747-88-1
分子式: C29H37NO3
分子量: 447.619
常用名: Lilopristone
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.905888
IUPAC: (1R,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-1-[(1Z)-3-hydroxyprop-1-en-1-yl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-1-[(1Z)-3-hydroxyprop-1-en-1-yl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@@](O)(\C=C/CO)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |c:15,21|
SMILES: [H][C@@]12CC[C@@](O)(\C=C/CO)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |c:15,21|
InChI key: RCOWGILQXUPXEW-FUSOFXSQSA-N
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