1-methyl-piperidine-4-carboxylic acid (1-{3-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]-3H-benzoimidazol-5-ylmethyl}-piperidin-4-yl)-amide

HCID 46830583
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기본 정보

표준 SMILES
CN1CCC(C(=O)NC2CCN(Cc3ccc4ncn(-c5nc(-c6cccc(Cl)c6)c(C(N)=O)s5)c4c3)CC2)CC1
InChIKey
MXFBJNCDRJAHGQ-UHFFFAOYSA-N
분자식
C30H34ClN7O2S
평균 분자량
592.2 g/mol

이름 및 식별자

우선 이름
1-methyl-piperidine-4-carboxylic acid (1-{3-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]-3H-benzoimidazol-5-ylmethyl}-piperidin-4-yl)-amide
IUPAC
4-(3-chlorophenyl)-2-[6-[[4-[(1-methylpiperidine-4-carbonyl)amino]piperidin-1-yl]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

이름 및 동의어

SCHEMBL2488963MXFBJNCDRJAHGQ-UHFFFAOYSA-N1-methyl-piperidine-4-carboxylic acid (1-{3-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]-3H-benzoimidazol-5-ylmethyl}-piperidin-4-yl)-amide1-methyl-piperidine-4-carboxylic acid (1-{3-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]3H-benzoimidazol-5-ylmethyl}-piperidin-4-yl)-amide

데이터베이스 식별자

PubChem CID
46830583

물성

구조 계산 물성

XLogP
4.2
극성 표면적
138 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
41

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1-methyl-piperidine-4-carboxylic acid (1-{3-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]-3H-benzoimidazol-5-ylmethyl}-piperidin-4-yl)-amide (HCID 46830583)｜Huagongshe