chembl4525763
- Other Name: 1-[[5-[4-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]-2-methylsulfonylethanol
- InChIKey: MYBMZHZNZQWIJY-UHFFFAOYSA-N
- InChI: InChI=1S/C29H26ClFN4O5S/c1-41(37,38)16-28(36)32-14-22-7-10-26(40-22)19-5-8-25-23(12-19)29(34-17-33-25)35-21-6-9-27(24(30)13-21)39-15-18-3-2-4-20(31)11-18/h2-13,17,28,32,36H,14-16H2,1H3,(H,33,34,35)
- SMILES: CS(=O)(=O)CC(NCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)O
- Exact Mass: 596.12965
- Molecular Formula: C29H26ClFN4O5S
-
Compound CID:
155543696
155543696
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.