chembl4525780
- Other Name: 1-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-4-methylpiperazine-2-carbonitrile
- InChIKey: JGAPYVUGNXETIN-UHFFFAOYSA-N
- InChI: InChI=1S/C19H18ClN5/c1-24-8-9-25(14(11-21)12-24)19-15-4-2-3-5-16(15)22-17-7-6-13(20)10-18(17)23-19/h2-7,10,14,22H,8-9,12H2,1H3
- SMILES: CN1CCN(C(C1)C#N)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
- Exact Mass: 351.12507
- Molecular Formula: C19H18ClN5
-
Compound CID:
155543745
155543745
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.