EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:758760 - ds-2248

Default Structure
ChEBI IDCHEBI:758760
ChEBI Nameds-2248
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H23N7O2S
Net Charge0
Average Mass425.518
Monoisotopic Mass425.16339
SMILESCNC(=O)CC1=Cc2nn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(c23)SC1
InChIInChI=1S/C20H23N7O2S/c1-10-7-23-14(11(2)17(10)29-4)8-27-18-16-13(26-27)5-12(6-15(28)22-3)9-30-19(16)25-20(21)24-18/h5,7H,6,8-9H2,1-4H3,(H,22,28)(H2,21,24,25)
InChIKeyGRBFSGXSMHPNMC-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ds-2248 (CHEBI:758760) has role antineoplastic agent (CHEBI:35610)
ds-2248 (CHEBI:758760) is a pyrazolopyrimidine (CHEBI:38669)
Synonym  Source
Ds-2248ChEMBL