HIT ID: HIT218849683
Cas No: 3034161-55-9
分子式: C38H42Cl2N8O5
分子量: 761.71
常用名: HBV/HDV-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-{[(1-acetylpiperidin-4-yl)amino]methyl}-N-(2-chloro-3-{3'-chloro-6-methoxy-5-[({[(2S)-5-oxopyrrolidin-2-yl]methyl}amino)methyl]-[2,4'-bipyridin]-2'-yl}phenyl)-4-methoxypyridine-2-carboxamide
IUPAC: 5-{[(1-acetylpiperidin-4-yl)amino]methyl}-N-(2-chloro-3-{3'-chloro-6-methoxy-5-[({[(2S)-5-oxopyrrolidin-2-yl]methyl}amino)methyl]-[2,4'-bipyridin]-2'-yl}phenyl)-4-methoxypyridine-2-carboxamide
SMILES: COc1cc(ncc1CNC1CCN(CC1)C(C)=O)C(=O)Nc1cccc(c1Cl)-c1nccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
SMILES: COc1cc(ncc1CNC1CCN(CC1)C(C)=O)C(=O)Nc1cccc(c1Cl)-c1nccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
InChI key: IJZMUTFIXBQEQY-SANMLTNESA-N
