기본 정보
- 표준 SMILES
Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21- InChIKey
LPAMCBPWGRTOCP-UHFFFAOYSA-N- 분자식
- C19H18FN5O
- 평균 분자량
- 351.4 g/mol
- 단동위원소 질량
- 351.14953838
이름 및 식별자
- 우선 이름
- 1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl)-1-ethynyl)-1-cyclopentanol
- IUPAC
- 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol
이름 및 동의어
1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9h-2-purinyl)-1-ethynyl)-1-cyclopentanol1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl]-1-cyclopentanol1-{2-(6-Amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-AFPMPE-cyclopentanolRefChem:907189CHEMBL2976851-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanolSCHEMBL5973197LPAMCBPWGRTOCP-UHFFFAOYSA-NBDBM50095790DB-328800
이름 더 보기
E-32101-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol1-[2-[6-AMINO-9-METHYL-8-(3-FLUOROPHENYL)-9H-2-PURINYL]-1-ETHYNYL]-1-CYCLOPENTANOL232252-63-0
데이터베이스 식별자
- PubChem CID
- 9841364
- ChEMBL
CHEMBL297685- Nikkaji
- J1.489.170F
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 89.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 583
관련 반응
9건
화합물 노트
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