CE-114764
- InChIKey: YWNQMJJLXLOBIK-UHFFFAOYSA-N
- InChI: InChI=1S/C23H20Cl2N6O2/c24-14-5-7-15(8-6-14)31-19(16-3-1-2-4-17(16)25)29-18-20(27-13-28-21(18)31)30-11-9-23(26,10-12-30)22(32)33/h1-8,13H,9-12,26H2,(H,32,33)
- SMILES: C1CN(CCC1(C(=O)O)N)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
- Exact Mass: 482.10248
- Molecular Formula: C23H20Cl2N6O2
-
Compound CID:
21905804
21905804
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.