chembl4525738
- Other Name: N-[(1R)-1-[4-oxo-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrido[2,3-d]pyrimidin-3-ium-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
- InChIKey: MQALWYAUVNQTEM-LJQANCHMSA-N
- InChI: InChI=1S/C30H23F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19H,16,18H2,1H3/q+1/t19-/m1/s1
- SMILES: C[C@H](C1=NC2=C(C=CC=N2)C(=O)[N+]1=C3C=CC(=O)C=C3)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F
- Exact Mass: 574.17021
- Molecular Formula: C30H23F3N5O4+
-
Compound CID:
155543800
155543800
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.