기본 정보
- 표준 SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)cc4)c3c2)o1- InChIKey
RZEMPBRXCDBLDH-UHFFFAOYSA-N- 분자식
- C29H27FN4O4S
- 평균 분자량
- 546.6 g/mol
이름 및 식별자
- 우선 이름
- Deschloro Lapatinib
- IUPAC
- N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
이름 및 동의어
Deschloro Lapatinib633370-23-7CHEMBL213818N-(4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amineDeschloroLapatinibSCHEMBL2101472RZEMPBRXCDBLDH-UHFFFAOYSA-NBDBM50189124Deschloro Lapatinib; Deschlorolapatinib; 4-Quinazolinamine, N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-; N-[4-[(3-Fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamineN-(4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amineN-{4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamineN[4-[(3-fluorobenzyl)oxy]phenyl)6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
데이터베이스 식별자
- PubChem CID
- 9893671
- ChEMBL
CHEMBL213818
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 853
관련 반응
7건
연결된 노트
불러오는 중…