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

HCID 15545831

基本情報

標準SMILES
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5ccnc(Cl)c5c4)C3=O)cc2c1
InChIKey
OVNAHQFKHOJAIQ-QHCPKHFHSA-N
分子式
C25H22ClN3O4S
平均分子量
496 g/mol
単同位体質量
495.1019551

名称と識別子

優先名称
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

名称と別名

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

データベース識別子

PubChem CID
15545831
ChEMBL
CHEMBL315372
Nikkaji
J1.175.143A

物性

構造計算による物性

XLogP
4.4
極性表面積
97 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
6
重原子数
34

関連反応

6 件

化合物ノート

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