EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:749074 - ast-487

Default Structure
ChEBI IDCHEBI:749074
ChEBI Nameast-487
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H30F3N7O2
Net Charge0
Average Mass529.567
Monoisotopic Mass529.24131
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
InChIKeyODPGGGTTYSGTGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ast-487 (CHEBI:749074) is a aromatic ether (CHEBI:35618)
Synonyms  Source
Ast-487ChEMBL
NVP-AST-487ChEMBL
NVP-AST487ChEMBL
Citations