4-(3-(4-(2-(diethylamino)ethoxy)-3-iodobenzoyl)benzofuran-2-yl)butanoic acid
- Other Name: 2-Benzofuranbutanoic acid, 3-(4-(2-(diethylamino)ethoxy)-3-iodobenzoyl)-
- InChIKey: QLXMMDUCEAYUQO-UHFFFAOYSA-N
- InChI: InChI=1S/C25H28INO5/c1-3-27(4-2)14-15-31-21-13-12-17(16-19(21)26)25(30)24-18-8-5-6-9-20(18)32-22(24)10-7-11-23(28)29/h5-6,8-9,12-13,16H,3-4,7,10-11,14-15H2,1-2H3,(H,28,29)
- SMILES: CCN(CC)CCOC1=C(C=C(C=C1)C(=O)C2=C(OC3=CC=CC=C32)CCCC(=O)O)I
- Exact Mass: 549.10122
- Molecular Formula: C25H28INO5
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Compound CID:
118753324
118753324
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.