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CHEBI:759837 - stx-478

Default Structure
ChEBI IDCHEBI:759837
ChEBI Namestx-478
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC16H12F5N5O2
Net Charge0
Average Mass401.295
Monoisotopic Mass401.09112
SMILESCc1c([C@@H](NC(=O)Nc2cnc(N)nc2)C(F)(F)F)oc2c(F)cc(F)cc12
InChIInChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
InChIKeyLGPNQALKGDDVBD-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
stx-478 (CHEBI:759837) is a benzofurans (CHEBI:35259)
Synonym  Source
Stx-478ChEMBL
Citations