HCID10181075

4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide

4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C24H20ClN5O429.9 g/molCAS 404844-11-7

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIKey: WUGWDFMSJPJUEZ-UHFFFAOYSA-N
分子式: C24H20ClN5O
平均分子量: 429.9 g/mol
单同位素质量: 429.135638

COMPUTED

结构计算性质

等待补全

XLogP: 4.3
极性表面积: 79.8 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 570

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 45 条

404844-11-7493YC8TX2Q4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamideRefChem:10700664-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamidePDGFR|A kinase inhibitor 24-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideN-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-4-chloromethyl BenzamideMFCD098410014-(CHLOROMETHYL)-N-(4-METHYL-3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDECHEMBL17657154-(chloromethyl)-n-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide4-(Chloromethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide4-(chloromethyl)-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-ylamino]phenyl}benzamide4-chloromethyl-N-(4-methyl-3-((4-pyridin-3-yl)-pyrimidin-2-ylamino)-phenyl)-benzamide4-chloromethyl-N-{4-methyl-3-[(4-pyridin-3-yl)-pyrimidin-2-ylamino]-phenyl}-benzamideN-(5-(4-chloromethylbenzoylamino)-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amineN-[5-(4-chloromethylbenzoylamino)-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidine-amine

REACTIONS

相关反应

18 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595323B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595323B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595323B2

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

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07312216B2

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

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