Main compound image
erlotinib m18
  • Other Name: 4-[(3-Ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinol
  • InChIKey: PKUSDEYOSFKCTN-UHFFFAOYSA-N
  • InChI: InChI=1S/C19H17N3O3/c1-3-13-5-4-6-14(9-13)22-19-15-10-17(23)18(25-8-7-24-2)11-16(15)20-12-21-19/h1,4-6,9-12,23H,7-8H2,2H3,(H,20,21,22)
  • SMILES: COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)O
  • Exact Mass: 335.12699
  • Molecular Formula: C19H17N3O3
  • Compound CID: pubchemlite18925065 pubchem18925065
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.

Click on a node or edge to see details here.

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