Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![1-cyclopentyl-6-(4-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one 分子结构式](/api/mol/136645251/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC1CNCC1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1
- InChIKey
- PAPGDZAFVSCQLE-UHFFFAOYSA-N
- 分子式
- C15H21N5O
- 平均分子量
- 287.36 g/mol
- 单同位素质量
- 287.17461031
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 71.3 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 459
ALIASES
名称与别名
SCHEMBL15996124
REACTIONS
参与反应
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 (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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