Name: M443
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672508
Cas No:1820684-31-8
常用名:M443
IUPAC:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({4-[1-(prop-2-enoyl)piperidin-3-yl]pyrimidin-2-yl}amino)benzamide
IUPAC:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({4-[1-(prop-2-enoyl)piperidin-3-yl]pyrimidin-2-yl}amino)benzamide
InChI key:QAQFNUYJUCJMKF-UHFFFAOYSA-N

分子式:C31H30F3N7O2
分子量:589.623
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:5.3032274
SMILES:Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)C3CCCN(C3)C(=O)C=C)c2)cc(c1)C(F)(F)F
SMILES:Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)C3CCCN(C3)C(=O)C=C)c2)cc(c1)C(F)(F)F

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