HCID72165218

N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)-2,3-dihydroxypropanamide

N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2,3-dihydroxypropanamide

C22H24FN5O5457.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C(O)CO)c3)n2)cc1
InChIKey: MYTPZLULZRMKCM-UHFFFAOYSA-N
分子式: C22H24FN5O5
平均分子量: 457.5 g/mol
单同位素质量: 457.17614705

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 138 Å²
氢键供体: 5
氢键受体: 10
可旋转键: 11
重原子: 33
形式电荷: 0
复杂度: 583

ALIASES

名称与别名

共 6 条

CHEMBL3355049SCHEMBL15390689MYTPZLULZRMKCM-UHFFFAOYSA-NBDBM50043319N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)-2,3-dihydroxypropanamideN-(3-((5-fluoro-2-((4-(2-methoxyethoxyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)-2,3-dihydroxypropanamide

REACTIONS

参与反应

4 条

uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09415049B2

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09415049B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126950B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126950B2

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