Name: BI 653048
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671043
Cas No:1198784-72-3
常用名:BI 653048
IUPAC:2-[(4R)-4-{[5-(ethanesulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl}-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-5-fluorobenzamide
IUPAC:2-[(4R)-4-{[5-(ethanesulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl}-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-5-fluorobenzamide
InChI key:AUIFRJWXYUNPPV-QFIPXVFZSA-N

分子式:C23H25F4N3O4S
分子量:515.52
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:2.9874532
SMILES:CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
SMILES:CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1

BI 653048 is a selective and orally active agonist of nonsteroidal glucocorticoid (IC50: 55 nM). BI 653048 is also an HCV NS3 protease inhibitor.

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