uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893056B2
查看![[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[(2-pyridinylmethyl)amino]-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide 分子结构式](/api/mol/86636947/svg/360x280.svg)
HCID86636947
[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[(2-pyridinylmethyl)amino]-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
C28H34FN7O3535.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(NCc2ccccn2)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)n1
- InChIKey
- FVOSSOLGIKRPPP-HSZRJFAPSA-N
- 分子式
- C28H34FN7O3
- 平均分子量
- 535.6 g/mol
- 单同位素质量
- 535.27071613
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 121 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 13
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 738
ALIASES
名称与别名
SCHEMBL1189502FVOSSOLGIKRPPP-HSZRJFAPSA-N[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[(2-pyridinylmethyl)amino]-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide
REACTIONS
参与反应
uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893056B2
查看