2-({2-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluoro-N-methylbenzamide
기본 정보
- 표준 SMILES
CCOc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(=O)NC)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n1)N(C(=O)CN(C)C)CCC2- InChIKey
OYHATVQYEAJHMR-UHFFFAOYSA-N- 분자식
- C36H39FN8O5S
- 평균 분자량
- 714.8 g/mol
이름 및 식별자
- 우선 이름
- 2-({2-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluoro-N-methylbenzamide
- IUPAC
- 2-[[2-[[1-[2-(dimethylamino)acetyl]-6-ethoxy-3,4-dihydro-2H-quinolin-7-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide
이름 및 동의어
SCHEMBL2206054OYHATVQYEAJHMR-UHFFFAOYSA-N2-({2-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluoro-N-methylbenzamide
데이터베이스 식별자
- PubChem CID
- 67316558
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
1건
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