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CHEBI:231087 - Trilaciclib

ChEBI IDCHEBI:231087
ChEBI NameTrilaciclib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30N8O
Net Charge0
Average Mass446.559
Monoisotopic Mass446.25426
SMILESCN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
InChIInChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
InChIKeyPDGKHKMBHVFCMG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Trilaciclib (CHEBI:231087) is a piperazines (CHEBI:26144)
Trilaciclib (CHEBI:231087) is a pyridines (CHEBI:26421)
IUPAC Name 
4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
Manual XrefsDatabases
DB15442DrugBank
D11130KEGG DRUG
HMDB0304899HMDB
5442DrugCentral
58825997ChemSpider