1609522-33-9
6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
Molecular Identity
1609522-33-9
6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID: 73776233
2D Structure
Properties
C15H18Br2N4
Molecular Formula
414.14
Molecular Weight
g/mol
413.9878
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
33.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
390
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1609522-33-9UNII-6LGR0RYY5QSEL120-34A free baseCDK8-IN-2 free base6LGR0RYY5Q4H-Imidazo(4,5,1-ij)quinoline, 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-7,8-DIBROMO-5,6-DIHYDRO-9-METHYL-2-(1-PIPERAZINYL)-4H-IMIDAZO(4,5,1-IJ)QUINOLINERefChem:182254SEL120-34ARomaciclib6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraeneCHEMBL42259667,8-Dibromo-9-methyl-2-(piperazin-1-yl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolineromaciclib [INN]SEL120-34Afree
Data from PubChem (NCBI)
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