HCID59239552

1-Ethyl-3-(4-(4-morpholino-7-(pyrimidine-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea

1-ethyl-3-[4-[4-morpholin-4-yl-7-(pyrimidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

C25H28N8O3488.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ncccn2)C3)cc1
InChIKey: CLTJTBGGOMFXLC-UHFFFAOYSA-N
分子式: C25H28N8O3
平均分子量: 488.5 g/mol
单同位素质量: 488.22843678

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 125 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 5
重原子: 36
形式电荷: 0
复杂度: 737

ALIASES

名称与别名

共 3 条

SCHEMBL1831536CLTJTBGGOMFXLC-UHFFFAOYSA-N1-ethyl-3-(4-(4-morpholino-7-(pyrimidine-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163763B2

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