Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![N-[6-(3-amino-4-fluorophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 分子结构式](/api/mol/57749270/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F
- InChIKey
- SCOMXIVATCHBAT-UHFFFAOYSA-N
- 分子式
- C16H14FN5O2
- 平均分子量
- 327.31 g/mol
- 单同位素质量
- 327.11315287
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 94.5 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 477
ALIASES
名称与别名
SCHEMBL4288591SCOMXIVATCHBAT-UHFFFAOYSA-NN-[6-(3-amino-4-fluorophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
REACTIONS
参与反应
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 (3/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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