chembl4525723
- Other Name: 2-[[2-[(6-Carbamoyl-7-methoxyquinolin-4-yl)amino]-3-sulfanylpropanoyl]amino]acetic acid
- InChIKey: YDRDOUSMFHKULC-UHFFFAOYSA-N
- InChI: InChI=1S/C16H18N4O5S/c1-25-13-5-11-8(4-9(13)15(17)23)10(2-3-18-11)20-12(7-26)16(24)19-6-14(21)22/h2-5,12,26H,6-7H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)
- SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)NC(CS)C(=O)NCC(=O)O
- Exact Mass: 378.09979
- Molecular Formula: C16H18N4O5S
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Compound CID:
155543754
155543754
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.
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.