기본 정보
- CAS
1239234-36-6- 표준 SMILES
N#Cc1c(SCc2csc(-c3ccc(Cl)cc3)n2)nc(N2CCCC2)c(C#N)c1-c1ccc(OCCO)cc1- InChIKey
RFJKJKQQWXKVTD-UHFFFAOYSA-N- 분자식
- C29H24ClN5O2S2
- 평균 분자량
- 574.1 g/mol
이름 및 식별자
- 우선 이름
- Neladenoson
- IUPAC
- 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
이름 및 동의어
neladenoson1239234-36-62-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile2-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrileVZ2KZF4L9Sorb3027919SCHEMBL3726270CHEMBL5303472GTPL11222BAY-174RFJKJKQQWXKVTD-UHFFFAOYSA-Nneladenoson dalanate (deprecated INN)
이름 더 보기
BAY1067197 (amide ester prodrug)BAY 1067197T207262{(2-(4-Chlorophenyl)-1,3-thiazol-4-ylmethyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile2-[[[2-(4-Chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile3,5-Pyridinedicarbonitrile, 2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-6-(1-pyrrolidinyl)-
데이터베이스 식별자
- CAS
1239234-36-6- PubChem CID
- 46847262
- ChEMBL
CHEMBL5303472- UNII
- VZ2KZF4L9S
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 875
관련 반응
8건
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