uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188101B2
查看![(S)-(1-(6-methyl-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)indolin-2-yl)methanol 分子结构式](/api/mol/46200201/svg/360x280.svg)
HCID46200201
(S)-(1-(6-methyl-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)indolin-2-yl)methanol
[(2S)-1-[6-methyl-2-[4-(2-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,3-dihydroindol-2-yl]methanol
C27H29N7O467.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nccn1-c1ccc(Nc2nc3c(c(N4c5ccccc5C[C@H]4CO)n2)CN(C)CC3)cc1
- InChIKey
- NACOZCAJCUJMKE-QFIPXVFZSA-N
- 分子式
- C27H29N7O
- 平均分子量
- 467.6 g/mol
- 单同位素质量
- 467.24335857
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 82.3 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 703
ALIASES
名称与别名
SCHEMBL2477810NACOZCAJCUJMKE-QFIPXVFZSA-N(S)-(1-(6-methyl-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)indolin-2-yl)methanol
REACTIONS
参与反应