hydroxy-da-8164
- Other Name: 4-(3-hydroxypropoxy)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
- InChIKey: UJBLEAFWMWIAOV-UHFFFAOYSA-N
- InChI: InChI=1S/C25H36N6O5S/c1-4-7-20-22-23(31(3)29-20)25(33)28-24(27-22)19-16-18(9-10-21(19)36-15-6-14-32)37(34,35)26-12-11-17-8-5-13-30(17)2/h9-10,16-17,26,32H,4-8,11-15H2,1-3H3,(H,27,28,33)
- SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCCO)C
- Exact Mass: 532.24679
- Molecular Formula: C25H36N6O5S
-
Compound CID:
154699990
154699990
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.