uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2
查看![((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-5-yl)phenyl)methanone 分子结构式](/api/mol/117727681/svg/360x280.svg)
HCID117727681
((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-5-yl)phenyl)methanone
[(2S,3R)-2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(2-methylpyrazol-3-yl)phenyl]methanone
C26H28ClN5O2478 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(-c2ccnn2C)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2nc3cc(Cl)ccc3o2)c1
- InChIKey
- XXEPGDPDPBZUTQ-UZUQRXQVSA-N
- 分子式
- C26H28ClN5O2
- 平均分子量
- 478 g/mol
- 单同位素质量
- 477.1931528
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 76.2 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 713
物化、安全与法规信息正在同步。
ALIASES
名称与别名
CHEMBL5802053SCHEMBL16277334XXEPGDPDPBZUTQ-UZUQRXQVSA-N((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-5-yl)phenyl)methanone
REACTIONS
参与反应
uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2
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