기본 정보
- 표준 SMILES
COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cn3)c3nccnc23)c1- InChIKey
JFBGADPPGLQMGI-UHFFFAOYSA-N- 분자식
- C28H29FN6O3
- 평균 분자량
- 516.6 g/mol
이름 및 식별자
- 우선 이름
- 8-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
- IUPAC
- 8-(2-fluoro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
이름 및 동의어
SCHEMBL1126624CHEMBL3653122JFBGADPPGLQMGI-UHFFFAOYSA-NBDBM102539US8536175, 1438-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide8-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]amide8-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methylpiperazin-1-ylmethyl)-pyridin-2-yl]-amide
데이터베이스 식별자
- PubChem CID
- 59292869
- ChEMBL
CHEMBL3653122
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 771
관련 반응
5건
화합물 노트
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