5-(3-(3-amino-1-(2-(difluoromethyl)-1-oxidopyridin-4-yl)-4-fluoro-1h-isoindol-1-yl)phenyl)pyrimidine 1-oxide
- Other Name: 3-[2-(Difluoromethyl)-1-oxidopyridin-1-ium-4-yl]-7-fluoro-3-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]isoindol-1-amine
- InChIKey: VMSPWHMGQBHTLB-UHFFFAOYSA-N
- InChI: InChI=1S/C24H16F3N5O2/c25-19-6-2-5-18-21(19)23(28)30-24(18,17-7-8-32(34)20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-31(33)12-15/h1-13,22H,(H2,28,30)
- SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=[N+](C=C4)[O-])C(F)F)C5=CN=C[N+](=C5)[O-]
- Exact Mass: 463.12561
- Molecular Formula: C24H16F3N5O2
-
Compound CID:
118753362
118753362
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.