AT7519 TFA
HIT212708871
sdf文件结构编辑类似物检索
HIT ID: HIT212708871
Cas No: 1431697-85-6
分子式: C18H18Cl2F3N5O4
分子量: 496.27
常用名: AT7519 TFA
氢键受体数 (HBA): 4
氢键供体数 (HBD): 4
LogP: 0.52414244
IUPAC: 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide; trifluoroacetic acid
IUPAC: 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
SMILES: OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChI key: XTOQTRBZWZONHQ-UHFFFAOYSA-N
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