chembl4525771
- Other Name: (E)-3-[4-[[2-(1a-methyl-2H-oxireno[2,3-b]indol-6b-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
- InChIKey: CXPJOGYQWSAATI-ZHACJKMWSA-N
- InChI: InChI=1S/C21H23N3O3/c1-20-21(27-20,17-4-2-3-5-18(17)23-20)12-13-22-14-16-8-6-15(7-9-16)10-11-19(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
- SMILES: CC12C(O1)(C3=CC=CC=C3N2)CCNCC4=CC=C(C=C4)/C=C/C(=O)NO
- Exact Mass: 365.17394
- Molecular Formula: C21H23N3O3
-
Compound CID:
155543741
155543741
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.