1-(3-(3-amino-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1h-isoindol-1-yl)phenyl)ethane-1,2-diol
- Other Name: 1-[3-[3-Amino-1-[2-(difluoromethyl)-4-pyridinyl]-4-fluoroisoindol-1-yl]phenyl]ethane-1,2-diol
- InChIKey: DSPCXWHHXBALGZ-UHFFFAOYSA-N
- InChI: InChI=1S/C22H18F3N3O2/c23-16-6-2-5-15-19(16)21(26)28-22(15,14-7-8-27-17(10-14)20(24)25)13-4-1-3-12(9-13)18(30)11-29/h1-10,18,20,29-30H,11H2,(H2,26,28)
- SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C(CO)O
- Exact Mass: 413.13511
- Molecular Formula: C22H18F3N3O2
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Compound CID:
118753406
118753406
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.