uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08669361B2
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HCID58465051
5-amino-N-(5-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(4-methoxy-2-(trifluoromethyl)phenyl)thiazole-4-carboxamide
5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
C22H26F3N7O2S509.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(-c2nc(C(=O)Nc3cnn(C)c3N3CCC(CN)CC3)c(N)s2)c(C(F)(F)F)c1
- InChIKey
- CNXKZKSTJAHNKJ-UHFFFAOYSA-N
- 分子式
- C22H26F3N7O2S
- 平均分子量
- 509.6 g/mol
- 单同位素质量
- 509.18207876
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 153 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 728
ALIASES
名称与别名
5-amino-N-(5-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(4-methoxy-2-(trifluoromethyl)phenyl)thiazole-4-carboxamideSCHEMBL2518572
REACTIONS
参与反应
uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436001B2
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