1-{3-[4-(3-chloro-1-hydroxy-4-oxocyclohexa-2,5-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)-3-chloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl]piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
- InChIKey: XAUKQBXYNIMIMU-VWLOTQADSA-N
- InChI: InChI=1S/C25H32ClN5O4/c1-2-23-27-31(24(33)30(23)17-18-35-20-7-4-3-5-8-20)12-6-11-28-13-15-29(16-14-28)25(34)10-9-22(32)21(26)19-25/h3-5,7-10,19,34H,2,6,11-18H2,1H3/t25-/m0/s1
- SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)[C@@]4(C=CC(=O)C(=C4)Cl)O
- Exact Mass: 501.21428
- Molecular Formula: C25H32ClN5O4
-
Compound CID:
154700072
154700072
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.