chembl4525796
- Other Name: 3-[4-[4-[4-(1-Butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-[1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethoxy]propanal
- InChIKey: UGNSXICMOQFEIR-UHFFFAOYSA-N
- InChI: InChI=1S/C35H38Cl2N8O5/c1-3-25(2)45-34(47)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)49-20-31(19-46)50-35(48,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18-19,22-25,31,48H,3,14-17,20-21H2,1-2H3
- SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC(C=O)OC(CN5C=NC=N5)(C6=C(C=C(C=C6)Cl)Cl)O
- Exact Mass: 720.23422
- Molecular Formula: C35H38Cl2N8O5
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Compound CID:
155543717
155543717
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.