uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893056B2
查看![[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[3-methyl-3-(1-pyrrolidinyl)-1-azetidinyl]-4-pyrimidinyl}hydrazino)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide 分子结构式](/api/mol/86636996/svg/360x280.svg)
HCID86636996
[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[3-methyl-3-(1-pyrrolidinyl)-1-azetidinyl]-4-pyrimidinyl}hydrazino)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-methyl-3-pyrrolidin-1-ylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-(oxan-2-yloxy)formamide
C28H44FN7O4561.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OC2CCCCO2)c(F)c(N2CC(C)(N3CCCC3)C2)n1
- InChIKey
- MBTJWMVXPNLXRP-WTQRLHSKSA-N
- 分子式
- C28H44FN7O4
- 平均分子量
- 561.7 g/mol
- 单同位素质量
- 561.34388107
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 112 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 11
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 837
ALIASES
名称与别名
SCHEMBL1188519MBTJWMVXPNLXRP-WTQRLHSKSA-N[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-2-methyl-6-[3-methyl-3-(1-pyrrolidinyl)-1-azetidinyl]-4-pyrimidinyl}hydrazino)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide
REACTIONS
参与反应
uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893056B2
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