methyl {1-[(5-{4-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]piperidin-4-yl}acetate
기본 정보
- 표준 SMILES
COC(=O)CC1CCN(C(=O)c2c[nH]c(-c3cc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)cc4)ccn3)c2)CC1- InChIKey
VCYAFRAXIHPXCU-UHFFFAOYSA-N- 분자식
- C32H32FN5O5
- 평균 분자량
- 585.6 g/mol
이름 및 식별자
- 우선 이름
- methyl {1-[(5-{4-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]piperidin-4-yl}acetate
- IUPAC
- methyl 2-[1-[5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]piperidin-4-yl]acetate
이름 및 동의어
CHEMBL3660286SCHEMBL12846846VCYAFRAXIHPXCU-UHFFFAOYSA-NBDBM110658US8614234, 126methyl {1-[(5-{4-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]piperidin-4-yl}acetatemethyl {1-[(5-{4-[4-({[(2-fluoro-5methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]piperidin-4-yl}acetatemethyl{1-[(5-{4-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]piperidin-4-yl}acetate
데이터베이스 식별자
- PubChem CID
- 68403515
- ChEMBL
CHEMBL3660286
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 941
관련 반응
4건
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