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
- 형식 전하
- 0
- 복잡도
- 837
관련 반응
6건
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