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CHEBI:758226 - avotaciclib

Default Structure
ChEBI IDCHEBI:758226
ChEBI Nameavotaciclib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H11N7O
Net Charge0
Average Mass281.279
Monoisotopic Mass281.10251
SMILESNc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1
InChIInChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
InChIKeyVFVAQKKPFOPZEA-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
avotaciclib (CHEBI:758226) has role antineoplastic agent (CHEBI:35610)
avotaciclib (CHEBI:758226) is a chloropyridine (CHEBI:39173)
INN  Source
avotaciclibWHO MedNet
Synonyms  Source
BEY-1107ChEMBL
BEY1107ChEMBL
Cdk1 inhibitor bey1107ChEMBL
Citations