HCID5328170

6-Arylpyrido[2,3-d]pyrimidine deriv. 68

1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-(3-methoxyphenyl)urea

C29H32Cl2N8O2595.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1
InChIKey: MEYPNOVFXMUEAG-UHFFFAOYSA-N
分子式: C29H32Cl2N8O2
平均分子量: 595.5 g/mol
单同位素质量: 594.2025277

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 108 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 812

ALIASES

名称与别名

共 7 条

6-arylpyrido[2,3-d]pyrimidine deriv. 68CHEMBL60979BDBM3486SCHEMBL8130125MEYPNOVFXMUEAG-UHFFFAOYSA-N1-{6-(2,6-dichlorophenyl)-2-[3-(4-methyl-piperazin-1-yl)-propylamino]-pyrido[2,3-d]pyrimidin-7-yl}-3-(3-methoxy-phenyl)-urea3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-(3-methoxyphenyl)urea

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733913

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uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05952342

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

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