(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol
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기본 정보
- 표준 SMILES
OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O- InChIKey
XXPPXBPNHSWHBK-QXGSTGNESA-N- 분자식
- C21H24N4O2
- 평균 분자량
- 364.4 g/mol
- 단동위원소 질량
- 364.18992602
이름 및 식별자
- 우선 이름
- (1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol
- IUPAC
- (1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentan-1-ol
이름 및 동의어
905580-90-7Desulfonamide MLN 4924(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanolMFCD18207033(1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentanemethanol(1S,2S,4R)-4-(4-(((S)-2,3-Dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentan-1-ol(1S,2S,4R)-4-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol(1S,2S,4R)-4-[4-[[(S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentanolSCHEMBL191192XXPPXBPNHSWHBK-QXGSTGNESA-NCS-M0200
이름 더 보기
cyclopentanemethanol, 4-[4-[[(1s)-2,3-dihydro-1h-inden-1-yl]amino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-, (1s,2s,4r)-AKOS037649666(1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentanemethanolCS-13105SY269290DB-246758F788538(1S,2S,4R)-2-(hydroxymethyl)-4-[4-[[(1S)-indan-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentanol
데이터베이스 식별자
- PubChem CID
- 58944696
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 83.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 520
관련 반응
4건
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