Name: RSV L-protein-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851263
Cas No:868860-35-9
常用名:RSV L-protein-IN-3
IUPAC:8-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propyl)-6,6-dimethyl-2-phenyl-1H,6H,7H,8H,9H-imidazo[4,5-h]isoquinoline-7,9-dione
IUPAC:8-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propyl)-6,6-dimethyl-2-phenyl-1H,6H,7H,8H,9H-imidazo[4,5-h]isoquinoline-7,9-dione
InChI key:USPSSMHHTFYNKC-UHFFFAOYSA-N

分子式:C31H34N4O4
分子量:526.637
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(CCNCCCN2C(=O)c3c(ccc4nc([nH]c34)-c3ccccc3)C(C)(C)C2=O)cc1OC
SMILES:COc1ccc(CCNCCCN2C(=O)c3c(ccc4nc([nH]c34)-c3ccccc3)C(C)(C)C2=O)cc1OC

RSVL-protein-IN-3为一野生型RSV聚合酶抑制剂，具IC50值10.4 μM及EC50值2.1 μM(RSV)。相较之下，RSV/IAV-IN-2之细胞毒性显著低于临床活性分子Ribavirin。

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