HCID15870232

3-Methyl-2-[2-(4-amidinophenyl)ethyl]-imidazo[4,5-b]-pyridine-6-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide

ethyl 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]anilino)propanoate

C28H30N6O3498.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCN(C(=O)c1cnc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C)c1ccccc1
InChIKey: GWKHKHGHGSFGHM-UHFFFAOYSA-N
分子式: C28H30N6O3
平均分子量: 498.6 g/mol
单同位素质量: 498.23793884

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 127 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 11
重原子: 37
形式电荷: 0
复杂度: 780

ALIASES

名称与别名

共 5 条

SCHEMBL6780068GWKHKHGHGSFGHM-UHFFFAOYSA-N3-Methyl-2-[2-(4-amidinophenyl)ethyl]-imidazo[4,5-b]-pyridine-6-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide3-methyl-2-[2-(4-amidinophenyl)ethyl]-imidazo[4,5-b]pyridine-6-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide3-methyl-2-[2-(4-amidinophenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide

REACTIONS

参与反应

3 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710055B2

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uspto-grants-2000_07 · 10.6084/m9.figshare.5104873.v1 · US06087380

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uspto-grants-2000_07 · 10.6084/m9.figshare.5104873.v1 · US06087380

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