chembl4525740
- Other Name: N-[(1R)-1-[4-oxo-3-(4,5,6-trihydroxycyclohexa-1,3-dien-1-yl)pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
- InChIKey: DYQQUJTVAYSORL-XPLWZWCASA-N
- InChI: InChI=1S/C30H26F3N5O6/c1-17(28-36-27-21(5-3-13-35-27)29(43)38(28)22-10-11-23(39)26(42)25(22)41)37(16-19-4-2-12-34-15-19)24(40)14-18-6-8-20(9-7-18)44-30(31,32)33/h2-13,15,17,25-26,39,41-42H,14,16H2,1H3/t17-,25?,26?/m1/s1
- SMILES: C[C@H](C1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C(C3O)O)O)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F
- Exact Mass: 609.18352
- Molecular Formula: C30H26F3N5O6
-
Compound CID:
155543802
155543802
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.