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CHEBI:754982 - palbociclib isethionate

Default Structure
ChEBI IDCHEBI:754982
ChEBI Namepalbociclib isethionate
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC2H6O4S.C24H29N7O2
Net Charge0
Average Mass573.676
Monoisotopic Mass573.23695
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.O=S(=O)(O)CCO
InChIInChI=1S/C24H29N7O2.C2H6O4S/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;3-1-2-7(4,5)6/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);3H,1-2H2,(H,4,5,6)
InChIKeyLYYVFHRFIJKPOV-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
palbociclib isethionate (CHEBI:754982) has role antineoplastic agent (CHEBI:35610)
palbociclib isethionate (CHEBI:754982) is a piperazines (CHEBI:26144)
palbociclib isethionate (CHEBI:754982) is a pyridines (CHEBI:26421)
Synonyms  Source
Palbociclib isethiolateChEMBL
PD 0332991-0054ChEMBL
PD-03329910054ChEMBL
PF-0008066573ChEMBL