EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:751334 - rocepafant

Default Structure
ChEBI IDCHEBI:751334
ChEBI Namerocepafant
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H23ClN6OS2
Net Charge0
Average Mass535.098
Monoisotopic Mass534.10633
SMILESCOc1ccc(NC(=S)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)cc1
InChIInChI=1S/C26H23ClN6OS2/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(35)29-16-7-9-17(34-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,35)
InChIKeyWBGAFGNZNGJVNW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rocepafant (CHEBI:751334) is a organonitrogen heterocyclic compound (CHEBI:38101)
rocepafant (CHEBI:751334) is a organosulfur heterocyclic compound (CHEBI:38106)
INN  Source
rocepafantWHO MedNet