uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367829B2
查看![(R)-3-[2-[[2-[8-(Benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-[(tetra hydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide 分子结构式](/api/mol/66990019/svg/360x280.svg)
HCID66990019
(R)-3-[2-[[2-[8-(Benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-[(tetra hydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide
C45H53N7O5771.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NC[C@H](O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)c1
- InChIKey
- DBOHIWGVRQLPIF-LHEWISCISA-N
- 分子式
- C45H53N7O5
- 平均分子量
- 771.9 g/mol
- 单同位素质量
- 771.41081782
COMPUTED
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 152 Ų
- 氢键供体
- 5
- 氢键受体
- 9
- 可旋转键
- 16
- 重原子
- 57
- 形式电荷
- 0
- 复杂度
- 1,320
ALIASES
名称与别名
SCHEMBL1315496DBOHIWGVRQLPIF-LHEWISCISA-N(R)-3-[2-[[2-[8-(Benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-[(tetra hydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
REACTIONS
参与反应
uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367829B2
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