Name: BAY-588
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712176
Cas No:1799759-24-2
常用名:BAY-588
别名:BAY 588
IUPAC:N4-{1-[(4-tert-butylphenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-7-fluoroquinoline-2,4-dicarboxamide
IUPAC:N4-{1-[(4-tert-butylphenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-7-fluoroquinoline-2,4-dicarboxamide
InChI key:DNGZBWVQLFNTRT-UHFFFAOYSA-N

分子式:C27H25F4N5O2
分子量:527.524
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:5.7626276
SMILES:Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(N)=O)c(nn1Cc1ccc(cc1)C(C)(C)C)C(F)(F)F
SMILES:Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(N)=O)c(nn1Cc1ccc(cc1)C(C)(C)C)C(F)(F)F

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