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CHEBI:79999 - XCT 790

ChEBI IDCHEBI:79999
ChEBI NameXCT 790
Stars
DownloadsMolfile
FormulaC23H13F9N4O3S
Net Charge0
Average Mass596.431
Monoisotopic Mass596.05647
SMILESCOc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
InChIKeyHQFNFOOGGLSBBT-AWNIVKPZSA-N
ChEBI Ontology
Outgoing Relation(s)
XCT 790 (CHEBI:79999) is a cinnamamides (CHEBI:23247)
Manual XrefsDatabases
C15641KEGG COMPOUND
Registry NumbersSources
CAS:725247-18-7KEGG COMPOUND