SNAP-7941
HIT212713702
sdf文件结构编辑类似物检索
HIT ID: HIT212713702
Cas No: 387825-78-7
分子式: C31H37F2N5O6
分子量: 613.663
常用名: SNAP-7941
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 2.2313576
IUPAC: methyl (4S)-4-(3,4-difluorophenyl)-3-({3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC: methyl (4S)-4-(3,4-difluorophenyl)-3-({3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SMILES: COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
SMILES: COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
InChI key: FWMHZWMPUWAUPL-NDEPHWFRSA-N
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