Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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HCID57721181
1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(4-methyl-1-piperazinyl)-4-oxo-1-butanone
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(4-methylpiperazin-1-yl)butane-1,4-dione
C25H28N8O4504.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)CCC(=O)N4CCN(C)CC4)c3)cc21
- InChIKey
- GYGFDGOZODBIKK-UHFFFAOYSA-N
- 分子式
- C25H28N8O4
- 平均分子量
- 504.5 g/mol
- 单同位素质量
- 504.2233514
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 146 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 8
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 797
ALIASES
名称与别名
SCHEMBL4008062GYGFDGOZODBIKK-UHFFFAOYSA-N1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(4-methyl-1-piperazinyl)-4-oxo-1-butanone
REACTIONS
参与反应
uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07547779B2
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