chembl4525787
- Other Name: (2R)-2-[7-hydroxy-6-methoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinolin-2-ium-2-yl]-N-methyl-2-phenylacetamide
- InChIKey: PJRKWSWZVRTUDQ-AREMUKBSSA-O
- InChI: InChI=1S/C28H25F3N2O3/c1-32-27(35)26(19-6-4-3-5-7-19)33-15-14-20-16-25(36-2)24(34)17-22(20)23(33)13-10-18-8-11-21(12-9-18)28(29,30)31/h3-9,11-12,14-17,26H,10,13H2,1-2H3,(H-,32,34,35)/p+1/t26-/m1/s1
- SMILES: CNC(=O)[C@@H](C1=CC=CC=C1)[N+]2=C(C3=CC(=C(C=C3C=C2)OC)O)CCC4=CC=C(C=C4)C(F)(F)F
- Exact Mass: 495.18955
- Molecular Formula: C28H26F3N2O3+
-
Compound CID:
155543701
155543701
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.