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CHEBI:747454 - atirmociclib

Default Structure
ChEBI IDCHEBI:747454
ChEBI Nameatirmociclib
Stars
DefinitionA cyclin dependant kinase inhibitor with potential antineoplastic activity.
Last Modified18 March 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H27ClFN5O3
Net Charge0
Average Mass463.941
Monoisotopic Mass463.17865
SMILESCC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21
InChIInChI=1S/C22H27ClFN5O3/c1-11(2)29-16-8-12(7-14(24)19(16)27-20(29)22(3,4)31)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)30/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t15-,17-/m1/s1
InChIKeyQYJLBHRAPDJOSO-NVXWUHKLSA-N
ChEBI Ontology
Outgoing Relation(s)
atirmociclib (CHEBI:747454) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
D12834KEGG DRUG
DB21733DrugBank
Registry NumbersSources
CAS:2380321-51-5DrugBank