CHEBI:230905 - Ribociclib

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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 Ribociclib
ChEBI ID CHEBI:230905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30N8O
Net Charge 0
Average Mass 434.548
Monoisotopic Mass 434.25426
InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKey RHXHGRAEPCAFML-UHFFFAOYSA-N
SMILES O=C(N(C)C)C=1N(C2CCCC2)C3=NC(=NC=C3C1)NC4=NC=C(N5CCNCC5)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Ribociclib (CHEBI:230905) is a piperazines (CHEBI:26144)
Ribociclib (CHEBI:230905) is a pyridines (CHEBI:26421)
IUPAC Name
7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Manual Xrefs Databases
30798107 ChemSpider
5218 DrugCentral
6ZZ PDBeChem
D10883 KEGG DRUG
DB11730 KEGG DRUG
HMDB0257211 HMDB
LSM-45221 LINCS
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