methylthioibrutinib
- Other Name: Methylthioibrutinib
- InChIKey: YOUVTWAXGRCNKD-LJQANCHMSA-N
- InChI: InChI=1S/C26H28N6O2S/c1-35-15-13-22(33)31-14-5-6-19(16-31)32-26-23(25(27)28-17-29-26)24(30-32)18-9-11-21(12-10-18)34-20-7-3-2-4-8-20/h2-4,7-12,17,19H,5-6,13-16H2,1H3,(H2,27,28,29)/t19-/m1/s1
- SMILES: CSCCC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
- Exact Mass: 488.19945
- Molecular Formula: C26H28N6O2S
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Compound CID:
169502246
169502246
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.