HCID59605877

4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine

4-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-8-[(3-morpholin-4-ylazetidin-1-yl)methyl]purin-6-yl]morpholine

C27H35N9O2517.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCOCC4)C3)n(C)c2n1
InChIKey: SZOKAGHEGVBJFP-UHFFFAOYSA-N
分子式: C27H35N9O2
平均分子量: 517.6 g/mol
单同位素质量: 517.29137139

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 89.6 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 791

ALIASES

名称与别名

共 3 条

SCHEMBL2672960SZOKAGHEGVBJFP-UHFFFAOYSA-N4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine

REACTIONS

参与反应

3 条

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173650B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394796B2

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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