Desacrylibrutininb
- InChIKey: VUCCOJRMQJEQCP-QGZVFWFLSA-N
- InChI: InChI=1S/C23H24N6O/c1-28-13-5-6-17(14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-19(12-10-16)30-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H2,24,25,26)/t17-/m1/s1
- SMILES: CN1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
- Exact Mass: 400.20116
- Molecular Formula: C23H24N6O
-
Compound CID:
154688569
154688569
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.