Giredestrant
HIT212670947
sdf文件结构编辑类似物检索
HIT ID: HIT212670947
Cas No: 1953133-47-5
分子式: C27H31F5N4O
分子量: 522.564
常用名: Giredestrant
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 4.110668
IUPAC: 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
IUPAC: 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
InChI key: GQCXHIKRWBIQMD-AKJBCIBTSA-N
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