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CHEBI:748078 - dpoc-4088

Default Structure
ChEBI IDCHEBI:748078
ChEBI Namedpoc-4088
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC19H16ClF3N6O2
Net Charge0
Average Mass452.824
Monoisotopic Mass452.09754
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F
InChIInChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
InChIKeyAATHXZYXWMKUFC-UHFFFAOYSA-N
Roles Classification
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
dpoc-4088 (CHEBI:748078) has role anticoagulant (CHEBI:50249)
dpoc-4088 (CHEBI:748078) is a chloropyridine (CHEBI:39173)
Synonyms  Source
DP-4088ChEMBL
Dpoc-4088ChEMBL
DPOC 4088ChEMBL
Citations