RO-4597014

HCID 10073306CAS 710321-76-9

기본 정보

표준 SMILES
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc([C@H](O)CO)cn2)cc1Cl
InChIKey
MGXHZTQMLYFNMR-CRAIPNDOSA-N
분자식
C21H26ClN3O5S
평균 분자량
468 g/mol
단동위원소 질량
467.1281698

이름 및 식별자

우선 이름
RO-4597014
IUPAC
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide

이름 및 동의어

RO4597014I655N5I88OUNII-I655N5I88O710321-76-9RO-4597014Benzeneacetamide, 3-chloro-alpha-(cyclopentylmethyl)-N-(5-((1S)-1,2-dihydroxyethyl)-2-pyrazinyl)-4-(methylsulfonyl)-, (alphaR)-BENZENEACETAMIDE, 3-CHLORO-.ALPHA.-(CYCLOPENTYLMETHYL)-N-(5-((1S)-1,2-DIHYDROXYETHYL)-2-PYRAZINYL)-4-(METHYLSULFONYL)-, (.ALPHA.R)-RefChem:202879CHEMBL2338347SCHEMBL1445792SCHEMBL29411331MGXHZTQMLYFNMR-CRAIPNDOSA-N
이름 더 보기
DTXSID001352381GLXC-25386BDBM50428287(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-{5-[(1S)-1,2-dihydroxyethyl]-2-pyrazinyl}propanamide2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(1 (S),2-dihydroxy-ethyl)-pyrazin-2-yl]-propionamide2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(1(S),2-dihydroxy-ethyl)-pyrazin-2-yl]-propionamide

데이터베이스 식별자

CAS
710321-76-9
PubChem CID
10073306
DTXSID
DTXSID001352381
ChEMBL
CHEMBL2338347
UNII
I655N5I88O

물성

구조 계산 물성

XLogP
1.8
극성 표면적
138 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
31

관련 반응

4건

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