HCID86687248
1-{5-tert-Butyl-2-[3-(2-dimethylamino-ethoxy)-phenyl]-2H-pyrazol-3-yl}-3-[(1S,4R)-4-[3-((S)-3-methyl-morpholin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy]-1,2,3,4-tetrahydro-naphthalen-1-yl]-urea formate salt
1-[3-tert-butyl-1-[3-[2-(dimethylamino)ethoxy]phenyl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(3S)-3-methylmorpholin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea;formic acid
C40H51N9O6753.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@H]1COCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)c4)c4ccccc43)cn12.O=CO
- InChIKey
- PGHZYSSLWUCUBD-ZEWFTONXSA-N
- 分子式
- C40H51N9O6
- 平均分子量
- 753.9 g/mol
- 单同位素质量
- 753.39623038
COMPUTED
结构计算性质
- 极性表面积
- 161 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 11
- 重原子
- 55
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
1-{5-tert-Butyl-2-[3-(2-dimethylamino-ethoxy)-phenyl]-2H-pyrazol-3-yl}-3-[(1S,4R)-4-[3-((S)-3-methyl-morpholin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy]-1,2,3,4-tetrahydro-naphthalen-1-yl]-urea formate salt1-{5-tert-Butyl-2-[3-(2-dimethylamino-ethoxy)-phenyl]-2H-pyrazol-3-yl}-3-{(1S,4R)-4-[3-((S)-3-methyl-morpholin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy]-1,2,3,4-tetrahydro-naphthalen-1-yl}-urea formate saltSCHEMBL15008404PGHZYSSLWUCUBD-ZEWFTONXSA-N
REACTIONS
参与反应
当前筛选下没有反应记录。