기본 정보
- 표준 SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C.Cl.Cl.Cl- InChIKey
FNOCBYCWHWGZLB-UHFFFAOYSA-N- 분자식
- C37H44Cl3N7O3
- 평균 분자량
- 741.1 g/mol
이름 및 식별자
- 우선 이름
- {2-methyl-1-[2-(5-{6-[4-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester trihydrochloride
- IUPAC
- methyl N-[3-methyl-1-oxo-1-[2-[5-[6-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;trihydrochloride
이름 및 동의어
{2-Methyl-1-[2-(5-{6-[4-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester trihydrochloric acid salt{2-Methyl-1-[2-(5-{6-[4-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester trihydrochloric acid saltSCHEMBL204128FNOCBYCWHWGZLB-UHFFFAOYSA-N{2-methyl-1-[2-(5-{6-[4-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester trihydrochloride
데이터베이스 식별자
- PubChem CID
- 66620476
물성
구조 계산 물성
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
11건
화합물 노트
불러오는 중…