CHEBI:231087 - Trilaciclib

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trilaciclib
ChEBI ID CHEBI:231087
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30N8O
Net Charge 0
Average Mass 446.559
Monoisotopic Mass 446.25426
InChI InChI=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)
InChIKey PDGKHKMBHVFCMG-UHFFFAOYSA-N
SMILES O=C1NCC2(N3C1=CC=4C3=NC(=NC4)NC5=NC=C(N6CCN(CC6)C)C=C5)CCCCC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
5442 DrugCentral
58825997 ChemSpider
D11130 KEGG DRUG
DB15442 KEGG DRUG
HMDB0304899 HMDB
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