1-(4-Hydroxycyclohexyl)-N-(3-methylbutyl)-2-({5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl}amino)-1H-benzimidazole-5-carboxamide
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기본 정보
- CAS
1012104-68-5- 표준 SMILES
CC(C)CCNC(=O)c1ccc2c(c1)nc(Nc1n[nH]c3ccc(-c4ccccc4OC(F)(F)F)cc13)n2C1CCC(O)CC1- InChIKey
QZMAOGLWCNTFCG-UHFFFAOYSA-N- 분자식
- C33H35F3N6O3
- 평균 분자량
- 620.676 g/mol
- 단동위원소 질량
- 620.27227364
이름 및 식별자
- 우선 이름
- 1-(4-Hydroxycyclohexyl)-N-(3-methylbutyl)-2-({5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl}amino)-1H-benzimidazole-5-carboxamide
- IUPAC
- 1-(4-Hydroxycyclohexyl)-N-(3-methylbutyl)-2-({5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl}amino)-1H-benzimidazole-5-carboxamide
- 영어명
- 1-(4-Hydroxycyclohexyl)-2-[[5-(2-trifluoromethoxyphenyl)-1H-indazol-3-yl]amino]-1H-benzimidazole-5-carboxylic acid (3-methylbutyl)amide
- 분자식
- C33H35F3N6O3
- 분자량
- 620.66
이름 및 동의어
IRAK inhibitor 41H-BenziMidazole-5-carboxaMide, 1-(4-hydroxycyclohexyl)-N-(3-Methylbutyl)-2-[[5-[2-(trifluoroMethoxy)phenyl]-1H-indazol-3-yl]aMino]-1-(4-Hydroxycyclohexyl)-2-[[5-(2-trifluoromethoxyphenyl)-1H-indazol-3-yl]amino]-1H-benzimidazole-5-carboxylic acid (3-methylbutyl)amide1-((1R, 4R)-4-Hydroxycyclohexyl)-N-isopentyl-2-(5-(2-(trifluoromethoxy)phenyl)-1H-indazol-3-ylamino)-1H-benzimidazole-5-carboxylic acid (3-methylbutyl)amide
데이터베이스 식별자
- CAS
1012104-68-5- PubChem CID
- 24797387
- DTXSID
DTXSID40647337- ChEMBL
CHEMBL5647673
물성
물리화학적 성질
- 밀도
- 1.41 · 1.41
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.54 · 13.54±0.40(Predicted)
- 색상
- Off-white to light brown
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