GNE-781
HIT212670238
sdf文件结构编辑类似物检索
HIT ID: HIT212670238
Cas No: 1936422-33-1
分子式: C27H33F2N7O2
分子量: 525.605
常用名: GNE-781
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.3585918
IUPAC: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-N-methyl-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
IUPAC: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-N-methyl-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILES: CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
SMILES: CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
InChI key: CQCWHSDMJBAGDC-UHFFFAOYSA-N
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