3-(4-(4-(4-(1-sec-butyl-5-oxo-1h-1,2,4-triazol-4(5h)-yl)phenyl)piperazin-1-yl)phenoxy)-2-hydroxypropanal
- Other Name: 3-[4-[4-[4-(1-Butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-hydroxypropanal
- InChIKey: XFGWZAFXPOLJQX-UHFFFAOYSA-N
- InChI: InChI=1S/C25H31N5O4/c1-3-19(2)30-25(33)29(18-26-30)22-6-4-20(5-7-22)27-12-14-28(15-13-27)21-8-10-24(11-9-21)34-17-23(32)16-31/h4-11,16,18-19,23,32H,3,12-15,17H2,1-2H3
- SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC(C=O)O
- Exact Mass: 465.23760
- Molecular Formula: C25H31N5O4
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Compound CID:
118753166
118753166
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.