1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide

HCID 9864445

기본 정보

표준 SMILES
NC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey
NQRSQXXWXGXYDU-HTVVRFAVSA-N
분자식
C14H16N8O5
평균 분자량
376.33 g/mol

이름 및 식별자

우선 이름
1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide
IUPAC
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide

이름 및 동의어

CHEMBL101383313348-35-51-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl }pyrazole-4-carboxamideSCHEMBL272512NQRSQXXWXGXYDU-HTVVRFAVSA-N1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxamideBDBM50119138

데이터베이스 식별자

PubChem CID
9864445
ChEMBL
CHEMBL101383

물성

구조 계산 물성

XLogP
-1.9
극성 표면적
200 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
27

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13건

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