uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07709471B2
查看![3-methoxy-4-[[6-methyl-5-oxo-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-N-(1-methyl-4-piperidyl)benzamide 分子结构式](/api/mol/68684008/svg/360x280.svg)
HCID68684008
3-methoxy-4-[[6-methyl-5-oxo-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-N-(1-methyl-4-piperidyl)benzamide
3-methoxy-4-[[5-methyl-6-oxo-9-(2-oxocyclopentyl)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
C27H35N7O4521.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1=O)CCC(=O)N2C
- InChIKey
- VDZUFOPVBPAIJG-UHFFFAOYSA-N
- 分子式
- C27H35N7O4
- 平均分子量
- 521.6 g/mol
- 单同位素质量
- 521.27505262
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 120 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 866
ALIASES
名称与别名
SCHEMBL3544384VDZUFOPVBPAIJG-UHFFFAOYSA-N3-methoxy-4-[[6-methyl-5-oxo-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-N-(1-methyl-4-piperidyl)benzamide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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