HCID67256002

4-[3-(5-Methyl-pyrazin-2-yl)-ureido]-3-(pyridin-3-ylmethoxy)-benzoic acid methyl ester

methyl 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzoate

C20H19N5O4393.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)c(OCc2cccnc2)c1
InChIKey: DCLOQAIPDKHRSD-UHFFFAOYSA-N
分子式: C20H19N5O4
平均分子量: 393.4 g/mol
单同位素质量: 393.1437041

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 115 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 29
形式电荷: 0
复杂度: 549

ALIASES

名称与别名

共 4 条

SCHEMBL2035559DCLOQAIPDKHRSD-UHFFFAOYSA-N4-[3-(5-Methyl-pyrazin-2-yl)-ureido]-3-(pyridin-3-ylmethoxy)-benzoic acid methyl ester4-[3-(5-methyl-pyrazin-2-yl)-ureido]-3-(pyridine-3-ylmethoxy)-benzoic acid methyl ester

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07608618B2

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uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07067506B2

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uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07067506B2

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