{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

HCID 66620476

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

관련 반응

11건

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