chembl4525795
- Other Name: 2-Butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-5-hydroxy-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
- InChIKey: UXBJDDAWIJZITC-UHFFFAOYSA-N
- InChI: InChI=1S/C35H38Cl2N8O5/c1-3-24(2)45-34(47)44(23-40-45)28-7-5-26(6-8-28)41-14-16-42(17-15-41)27-9-11-29(12-10-27)48-19-32-33(46)50-35(49-32,20-43-22-38-21-39-43)30-13-4-25(36)18-31(30)37/h4-13,18,21-24,32-33,46H,3,14-17,19-20H2,1-2H3
- SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C(OC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl)O
- Exact Mass: 720.23422
- Molecular Formula: C35H38Cl2N8O5
-
Compound CID:
155543716
155543716
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.