4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

HCID 11388192
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기본 정보

표준 SMILES
Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(C(C)O)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1
InChIKey
VPNKGBSMPKBIAY-UHFFFAOYSA-N
분자식
C34H29F3N8O3
평균 분자량
654.6 g/mol
단동위원소 질량
654.2314713

이름 및 식별자

우선 이름
4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide
IUPAC
4-[3-(1-hydroxyethyl)anilino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide

이름 및 동의어

4-[3-(1-hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amideSCHEMBL64544294-[3-(1-hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid{2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

데이터베이스 식별자

PubChem CID
11388192

물성

구조 계산 물성

XLogP
5.5
극성 표면적
139 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
48

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