HCID24760529

5-Chloro-N-((1-(2-(2-hydroxyethylamino)-4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

5-chloro-N-[[1-[2-(2-hydroxyethylamino)-4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C22H20ClN5O3S469.9 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2NCCO)cn1)c1ccc(Cl)s1
InChIKey: KMANCAXITPTEII-UHFFFAOYSA-N
分子式: C22H20ClN5O3S
平均分子量: 469.9 g/mol
单同位素质量: 469.0975384

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 128 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 8
重原子: 32
形式电荷: 0
复杂度: 738

ALIASES

名称与别名

共 3 条

SCHEMBL1277803KMANCAXITPTEII-UHFFFAOYSA-N5-Chloro-N-((1-(2-(2-hydroxyethylamino)-4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

REACTIONS

参与反应

5 条

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767697B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063077B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08349873B2

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uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07763608B2

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