기본 정보
- CAS
2222354-18-7- 표준 SMILES
CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)COCCOCCOCCOc6cccc(C(=O)c7csc([C@@H]8CCCN8C(=O)[C@@H](NC(=O)[C@H](C)NC)C8CCCCC8)n7)c6)sc5n4)c3)cc2C(F)(F)F)CC1- InChIKey
NJCPVTOZWPVLBE-XOIMNWENSA-N- 분자식
- C61H73F3N10O9S2
- 평균 분자량
- 1,211.4 g/mol
이름 및 식별자
- 우선 이름
- Sniper(abl)-033
- IUPAC
- 3-[2-[[2-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
- 영어명
- SNIPER(ABL)-033
- 분자식
- C61H73F3N10O9S2
- 분자량
- 1211.42
이름 및 동의어
SNIPER(ABL)-0332222354-18-7SNIPER(ABL)-333-(2-(2-(2-(2-(2-(3-(2-((S)-1-((S)-2-Cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)acetamido)thiazolo[5,4-b]pyridin-5-yl)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylorb1987741AKOS037653417DA-57952HY-111871CS-0093298T186893-[2-[[2-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamideBenzamide, 3-[2-[[2-[2-[2-[2-[3-[[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]acetyl]-2-pyrrolidinyl]-4-thiazolyl]carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,140
물리화학적 성질
- 밀도
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.8 · 9.80±0.43(Predicted)
화학 및 산업
공급사3 곳
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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