Primary record
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-dimethyl-2-(3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)cyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((((1r,4r)-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 146001143
- SMILES
- CC1(CCC(=C(C1)C23CC(C2)(C3)C(F)(F)F)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CC7)(C)O)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9)C
- Canonical SMILES
- CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(C23CC(C(F)(F)F)(C2)C3)C1
名称与同义词
- CHEMBL5807578
- SCHEMBL22581235
- SCHEMBL22581237
- BDBM552922
- BDBM555318
- US11318134, Example 32
- US11344546, Example 32
- 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-dimethyl-2-(3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)cyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((((1r,4r)-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide
- 4-[4-[[4,4-dimethyl-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[(4-hydroxy-4-methyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide