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
- Cc1nc(N)nc2c1C(=NOCCCN(C)C)CC(c1cc(F)ccc1-c1ccccc1)C2
- InChIKey
- IWUXJFGNXULUMC-UHFFFAOYSA-N
- 分子式
- C26H30FN5O
- 平均分子量
- 447.5 g/mol
- 单同位素质量
- 447.24343876
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 76.6 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 640
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL1781187IWUXJFGNXULUMC-UHFFFAOYSA-N2-amino-7-(4-fluoro-biphenyl-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one O-(3-dimethylamino-propyl)-oxime
REACTIONS
参与反应
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 (8/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 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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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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