Main compound image
4-(3-amino-4-fluoro-1-(3-(1-hydroxy-1h-imidazol-4-yl)phenyl)-1h-isoindol-1-yl)pyridine 1-oxide
  • Other Name: 7-Fluoro-3-[3-(3-hydroxyimidazol-4-yl)phenyl]-3-(1-oxidopyridin-1-ium-4-yl)isoindol-1-amine
  • InChIKey: WKOVHMMLYRIXLP-UHFFFAOYSA-N
  • InChI: InChI=1S/C22H16FN5O2/c23-18-6-2-5-17-20(18)21(24)26-22(17,15-7-9-27(29)10-8-15)16-4-1-3-14(11-16)19-12-25-13-28(19)30/h1-13,30H,(H2,24,26)
  • SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=[N+](C=C4)[O-])C5=CN=CN5O
  • Exact Mass: 401.12880
  • Molecular Formula: C22H16FN5O2
  • Compound CID: pubchemlite137656356 pubchem137656356
Hidden Reactions Filter Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products. These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph. To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.

You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
  • Carbon dioxide → Formylmethanofuran
  • Acrolein → Chembl3706542
  • Ethylene oxide → Acetyl-coa
  • Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.

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