7-Methoxy-naphthalene-2-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]-amide

HCID 15545831

기본 정보

표준 SMILES
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5ccnc(Cl)c5c4)C3=O)cc2c1
InChIKey
OVNAHQFKHOJAIQ-QHCPKHFHSA-N
분자식
C25H22ClN3O4S
평균 분자량
496 g/mol
단동위원소 질량
495.1019551

이름 및 식별자

우선 이름
7-Methoxy-naphthalene-2-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]-amide
IUPAC
N-[(3S)-1-[(1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide

이름 및 동의어

CHEMBL315372SCHEMBL7536428OVNAHQFKHOJAIQ-QHCPKHFHSA-NBDBM500810107-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-yl]-amide7-methoxy-naphthalene-2-sulfonic acid [1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-amide7-methoxy-naphthalene-2-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]-amide7-Methoxynaphthalene-2-sulfonic acid [1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-amide7-methoxynaphthalene-2-sulfonic acid [1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]amide7-Methoxynaphthalene-2-sulfonic acid[1-( 1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-amide7-methoxynaphthalene-2-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]-amide7-methoxynaphthalene-2-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(s)-yl]amide

데이터베이스 식별자

PubChem CID
15545831
ChEMBL
CHEMBL315372
Nikkaji
J1.175.143A

물성

구조 계산 물성

XLogP
4.4
극성 표면적
97 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
34

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6건

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