Name: HBV/HDV-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849879
Cas No:3034161-76-4
常用名:HBV/HDV-IN-2
IUPAC:N-[3-(5-{[(1-acetylpiperidin-4-yl)amino]methyl}-3'-chloro-6-methoxy-[2,4'-bipyridin]-2'-yl)-2-methylphenyl]-5-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methoxypyridine-2-carboxamide
IUPAC:N-[3-(5-{[(1-acetylpiperidin-4-yl)amino]methyl}-3'-chloro-6-methoxy-[2,4'-bipyridin]-2'-yl)-2-methylphenyl]-5-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methoxypyridine-2-carboxamide
InChI key:HBOBCJHFWLSZQO-MUUNZHRXSA-N

分子式:C38H44ClN7O5
分子量:714.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(ncc1CN1CC[C@@H](O)C1)C(=O)Nc1cccc(c1C)-c1nccc(c1Cl)-c1ccc(CNC2CCN(CC2)C(C)=O)c(OC)n1
SMILES:COc1cc(ncc1CN1CC[C@@H](O)C1)C(=O)Nc1cccc(c1C)-c1nccc(c1Cl)-c1ccc(CNC2CCN(CC2)C(C)=O)c(OC)n1

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