(4R)-3-Fluoro-4-[(4-{[(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-7-yl)methyl]amino}-1-piperidinyl)methyl]-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one Hydrochloride (HCID 68685581)

기본 정보

표준 SMILES: Cl.O=C1CSc2ncc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ncc(F)c4c65)CC3)cc2N1
InChIKey: OPSBVMQAPGEWRD-XFULWGLBSA-N
분자식: C24H26ClFN6O2S
평균 분자량: 517 g/mol

이름 및 식별자

우선 이름: (4R)-3-Fluoro-4-[(4-{[(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-7-yl)methyl]amino}-1-piperidinyl)methyl]-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one Hydrochloride
IUPAC: 7-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride

이름 및 동의어

SCHEMBL3548240OPSBVMQAPGEWRD-XFULWGLBSA-N(4R)-3-Fluoro-4-[(4-{[(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-7-yl)methyl]amino}-1-piperidinyl)methyl]-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one Hydrochloride

데이터베이스 식별자

PubChem CID: 68685581

물성

구조 계산 물성

극성 표면적: 116 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 35
형식 전하: 0
복잡도: 823

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