기본 정보
- 표준 SMILES
CSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1- InChIKey
DPMYVVGAYAPQNS-UHFFFAOYSA-N- 분자식
- C28H27N7O3S
- 평균 분자량
- 541.6 g/mol
이름 및 식별자
- 우선 이름
- Cct241161
- IUPAC
- 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
이름 및 동의어
CCT2411611-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-(2-methylsulfanyl-4-((3-oxo-4H-pyrido(2,3-b)pyrazin-8-yl)oxy)phenyl)ureaRefChem:1241001163719-91-21-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)ureaCHEMBL4204895N-[4-[(3,4-dihydro-3-oxopyrido[2,3-b]pyrazin-8-yl)oxy]-2-(methylthio)phenyl]-N'-[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]-ureaDPMYVVGAYAPQNS-UHFFFAOYSA-NGTPL9814orb1685264SCHEMBL3173602
이름 더 보기
SCHEMBL29437796SCHEMBL31046800C28H27N7O3SGLXC-22156BDBM50457448EX-A11234MFCD28902187CCT241161 pan RAF/SFK inhibitor
데이터베이스 식별자
- PubChem CID
- 44132853
- ChEMBL
CHEMBL4204895
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 893
관련 반응
4건
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