uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07951801B2
查看![6,6-Dimethyl-4-{-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propyl}-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide 分子结构式](/api/mol/67165629/svg/360x280.svg)
HCID67165629
6,6-Dimethyl-4-{-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propyl}-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propyl]morpholine-3-carboxamide
C26H29ClN6O4525 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C(=O)NC(C)CN2CC(C)(C)OCC2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)no1
- InChIKey
- QPHOJXMXQOWTPT-UHFFFAOYSA-N
- 分子式
- C26H29ClN6O4
- 平均分子量
- 525 g/mol
- 单同位素质量
- 524.1938811
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 125 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 848
ALIASES
名称与别名
SCHEMBL1800245QPHOJXMXQOWTPT-UHFFFAOYSA-N6,6-Dimethyl-4-{-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propyl}-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide
REACTIONS
参与反应