N-Monomethyl edoxaban
- InChIKey: XEESEADVQCJXSF-DUVNUKRYSA-N
- InChI: InChI=1S/C23H28ClN7O4S/c1-25-19(32)12-3-5-14(27-20(33)21(34)30-18-6-4-13(24)10-26-18)16(9-12)28-22(35)23-29-15-7-8-31(2)11-17(15)36-23/h4,6,10,12,14,16H,3,5,7-9,11H2,1-2H3,(H,25,32)(H,27,33)(H,28,35)(H,26,30,34)/t12-,14-,16+/m0/s1
- SMILES: CNC(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C(=O)NC4=NC=C(C=C4)Cl
- Exact Mass: 533.16120
- Molecular Formula: C23H28ClN7O4S
-
Compound CID:
59676785
59676785
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.