L-771688
HIT212672004
sdf文件结构编辑类似物检索
HIT ID: HIT212672004
Cas No: 200050-59-5
分子式: C28H33F2N5O5
分子量: 557.599
常用名: L-771688
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 1.9058578
IUPAC: methyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-({3-[4-(pyridin-2-yl)piperidin-1-yl]propyl}carbamoyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC: methyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-({3-[4-(pyridin-2-yl)piperidin-1-yl]propyl}carbamoyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SMILES: COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
SMILES: COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
InChI key: FFXFCSQUTLDLAR-VWLOTQADSA-N
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