uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087603B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(Nc2cc(-c3ccccc3)nc(Cl)n2)[nH]n1
- InChIKey
- VRHFODVXFPJXIQ-UHFFFAOYSA-N
- 分子式
- C14H12ClN5
- 平均分子量
- 285.73 g/mol
- 单同位素质量
- 285.0781231
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 66.5 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 310
ALIASES
名称与别名
SCHEMBL2203730VRHFODVXFPJXIQ-UHFFFAOYSA-N(2-chloro-6-phenyl-pyrimidin-4-yl)-(5-methyl-2H-pyrazol-3-yl)-amine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06664247B2
查看uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06664247B2
查看uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06653300B2
查看uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06653300B2
查看uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06653301B2
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