Thieno(3,2-B)pyridine-2-sulfonic acid (1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-YL)-amide

HCID 445480
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기본 정보

표준 SMILES
Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12
InChIKey
NVKDOURNRJCKJE-INIZCTEOSA-N
분자식
C21H19N5O3S2
평균 분자량
453.5 g/mol
단동위원소 질량
453.09293183

이름 및 식별자

우선 이름
Thieno(3,2-B)pyridine-2-sulfonic acid (1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-YL)-amide
IUPAC
N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

이름 및 동의어

THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDEN-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamideN-((3S)-1-((1-aminoisoquinolin-7-yl)methyl)-2-oxopyrrolidin-3-yl)thieno(3,2-b)pyridine-2-sulfonamideN-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamideThieno(3,2-B)pyridine-2-sulfonic acid (1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-YL)-amideRefChem:897707rpr208815CHEMBL3160531f0rSCHEMBL7540125BDBM14058NVKDOURNRJCKJE-INIZCTEOSA-N
이름 더 보기
DB07261PD005407NS00071580Q27096488N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxo-pyrrolidin-3-yl]-7-thia-2-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-sulfonamideThieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-(S)-yl]-amidethieno[3,2-b]pyridine-2-sulfonic acid[1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-(s)-yl]-amide

데이터베이스 식별자

PubChem CID
445480
ChEMBL
CHEMBL316053
Nikkaji
J1.401.539F

물성

구조 계산 물성

XLogP
2.3
극성 표면적
155 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
31

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