chembl4525777
- Other Name: 3-chloro-6-(1-methyl-3,5-dihydro-2H-pyrazin-1-ium-4-yl)-11H-benzo[b][1,4]benzodiazepine
- InChIKey: QJXJBCZTVXQIPI-UHFFFAOYSA-N
- InChI: InChI=1S/C18H18ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-8,12,20H,9-11H2,1H3/q+1
- SMILES: C[N+]1=CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
- Exact Mass: 325.12200
- Molecular Formula: C18H18ClN4+
-
Compound CID:
155543742
155543742
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.