chembl3526763
- Other Name: N-Dealkylated lapatinib
- InChIKey: NQHFMDSFFGTFSK-UHFFFAOYSA-N
- InChI: InChI=1S/C26H20ClFN4O2/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)30-15-31-26)24-9-6-20(13-29)34-24/h1-12,15H,13-14,29H2,(H,30,31,32)
- SMILES: C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN)Cl
- Exact Mass: 474.12588
- Molecular Formula: C26H20ClFN4O2
-
Compound CID:
21952026
21952026
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.