uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09034866B2
查看![9-[(R)-3-Hydroxy-3-(5-methyl-isoxazol-3-yl)-but-1-ynyl]-3-morpholin-4-ylmethyl-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene-2-carboxylic acid amide 分子结构式](/api/mol/86693120/svg/360x280.svg)
HCID86693120
9-[(R)-3-Hydroxy-3-(5-methyl-isoxazol-3-yl)-but-1-ynyl]-3-morpholin-4-ylmethyl-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene-2-carboxylic acid amide
10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-ynyl]-3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
C25H27N5O5477.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCOCC4)n2CCO3)no1
- InChIKey
- FSPXNSRMUXOEOB-RUZDIDTESA-N
- 分子式
- C25H27N5O5
- 平均分子量
- 477.5 g/mol
- 单同位素质量
- 477.20121898
COMPUTED
结构计算性质
- XLogP
- 0.3
- 极性表面积
- 129 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 841
ALIASES
名称与别名
CHEMBL4107156SCHEMBL15192896FSPXNSRMUXOEOB-RUZDIDTESA-NBDBM158628US9034866, 1039-[(R)-3-Hydroxy-3-(5-methyl-isoxazol-3-yl)-but-1-ynyl]-3-morpholin-4-ylmethyl-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene-2-carboxylic acid amide
REACTIONS
参与反应