Cis-3-{4-[4-(aminomethyl)phenoxy]phenyl}1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
기본 정보
- 표준 SMILES
CN1CCN(C2CCC(n3nc(-c4ccc(Oc5ccc(CN)cc5)cc4)c4c(N)ncnc43)CC2)CC1- InChIKey
HEZSUSKYDMXCBZ-UHFFFAOYSA-N- 분자식
- C29H36N8O
- 평균 분자량
- 512.6 g/mol
- 단동위원소 질량
- 512.3012078
이름 및 식별자
- 우선 이름
- Cis-3-{4-[4-(aminomethyl)phenoxy]phenyl}1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-[4-[4-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
이름 및 동의어
SCHEMBL6430615SCHEMBL6430619HEZSUSKYDMXCBZ-ZRZAMGCNSA-NCis-3-{4-[4-(aminomethyl) phenoxy]phenyl} 1-[4-(4-methylpiperazino) cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineCis-3-{4-[4-(aminomethyl) phenoxy]phenyl}-1-[4-(4-methylpiperazino) cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminecis-3-{4-[4-(aminomethyl) phenoxy]phenyl}-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineCis-3-{4-[4-(aminomethyl)phenoxy]phenyl}-1-[4-(4-methylpiperazino) cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminecis-3-{4-[4-(aminomethyl)phenoxy]phenyl}-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineCis-3-{4-[4-(aminomethyl)phenoxy]phenyl}1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
데이터베이스 식별자
- PubChem CID
- 20817030
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 726
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