Name: Fulvestrant (R enantiomer)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214421811
Cas No:1807900-80-6;1316849-17-8
常用名:Fulvestrant (R enantiomer)
别名:ZM 182780 R enantiomer, ZD 9238 R enantiomer, ICI 182780 R enantiomer, Fulvestrant R enantiomer
别名:ZM 182780 R enantiomer, ZD 9238 R enantiomer, ICI 182780 R enantiomer, Fulvestrant R enantiomer
IUPAC:(3aS,4R,9bS,11aR)-11a-methyl-4-{9-[(R)-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-[(R)-4,4,5,5,5-pentafluoropentanesulfinyl]nonyl}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
InChI key:VWUXBMIQPBEWFH-NHPIGFHCSA-N

分子式:C32H47F5O3S
分子量:606.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

Fulvestrant R enantiomer is the less active R enantiomer of Fulvestrant. Fulvestrant is a potent estrogen receptor antagonist with an IC50 of 9.4 nM.

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