Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(Cl)nc(Nc3cc(C)[nH]n3)cc2c1
- InChIKey
- PQPBRGLQTPTDQZ-UHFFFAOYSA-N
- 分子式
- C14H13ClN4O
- 平均分子量
- 288.73 g/mol
- 单同位素质量
- 288.0777887
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 62.8 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
- 332
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL3967592PQPBRGLQTPTDQZ-UHFFFAOYSA-N(1-chloro-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看