1-[3-(4-{3-chloro-4-hydroxy-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}piperazin-1-yl)propyl]-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1h-1,2,4-triazol-5-one
- Other Name: 2-[3-[4-[(1S,6R)-3-chloro-4-hydroxy-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
- InChIKey: KOPPHSPBFWSOBD-RDGATRHJSA-N
- InChI: InChI=1S/C25H32ClN5O4/c1-2-23-27-31(24(33)30(23)15-16-34-19-7-4-3-5-8-19)10-6-9-28-11-13-29(14-12-28)25-18-20(26)21(32)17-22(25)35-25/h3-5,7-8,17-18,22,32H,2,6,9-16H2,1H3/t22-,25+/m1/s1
- SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)[C@]45C=C(C(=C[C@H]4O5)O)Cl
- Exact Mass: 501.21428
- Molecular Formula: C25H32ClN5O4
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Compound CID:
154699746
154699746
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.