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结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NC[C@H](O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)c1
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
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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

已同步
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

共 3 条
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

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂