uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2
查看IDENTITY
结构与身份
- 标准SMILES
- CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc5ccccc45)c4nccnc34)cc2)CC1
- InChIKey
- JAFYTYXWBXZWTP-UHFFFAOYSA-N
- 分子式
- C30H27N5O
- 平均分子量
- 473.6 g/mol
- 单同位素质量
- 473.2215605
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 61.4 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 731
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL1127005JAFYTYXWBXZWTP-UHFFFAOYSA-N8-Naphthalen-1-yl-quinoxaline-5-carboxylic acid [4-(4-methyl-piperazin-1-yl)-phenyl]-amide8-Naphthalen-1-yl-quinoxaline-5-carboxylic acid [4-(4-methyl-piperazin-1-yl)phenyl]-amide
REACTIONS
参与反应
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2
查看uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2
查看uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08674099B2
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