HCID67019366

N-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide

N'-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-N-(2-piperidin-1-ylethyl)oxamide

C40H54N10O4738.9 g/mol

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IDENTITY

结构与身份

标准 SMILES: O=C(NCCN1CCCCC1)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey: FPCUZAIDLAXJGV-LSHZFYPFSA-N
分子式: C40H54N10O4
平均分子量: 738.9 g/mol
单同位素质量: 738.43295024

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 173 Å²
氢键供体: 6
氢键受体: 11
可旋转键: 14
重原子: 54
形式电荷: 0
复杂度: 1,140

ALIASES

名称与别名

共 3 条

SCHEMBL1402071FPCUZAIDLAXJGV-LSHZFYPFSA-NN-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide

REACTIONS

参与反应

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