Fulvestrant (S enantiomer)
HIT214421812
sdf文件结构编辑类似物检索
HIT ID: HIT214421812
Cas No: 1316849-17-8
分子式: C32H47F5O3S
分子量: 606.78
常用名: Fulvestrant (S enantiomer)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3aS,4R,9bS,11aR)-11a-methyl-4-{9-[(S)-4,4,5,5,5-pentafluoropentanesulfinyl]nonyl}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
IUPAC: (3aS,4R,9bS,11aR)-11a-methyl-4-{9-[(S)-4,4,5,5,5-pentafluoropentanesulfinyl]nonyl}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
SMILES: C[C@@]12CC[C@H]3C([C@@H]1CCC2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
SMILES: C[C@@]12CC[C@H]3C([C@@H]1CCC2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
InChI key: VWUXBMIQPBEWFH-NHPIGFHCSA-N
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