chembl4525724
- Other Name: 2-[[2-[(6-Carbamoyl-7-methoxyquinolin-4-yl)amino]-3-(6-carbamoyl-7-methoxyquinolin-4-yl)sulfanylpropanoyl]amino]acetic acid
- InChIKey: JWTSJOGOCJSPED-UHFFFAOYSA-N
- InChI: InChI=1S/C27H26N6O7S/c1-39-21-9-18-13(7-15(21)25(28)36)17(3-5-30-18)33-20(27(38)32-11-24(34)35)12-41-23-4-6-31-19-10-22(40-2)16(26(29)37)8-14(19)23/h3-10,20H,11-12H2,1-2H3,(H2,28,36)(H2,29,37)(H,30,33)(H,32,38)(H,34,35)
- SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)NC(CSC3=C4C=C(C(=CC4=NC=C3)OC)C(=O)N)C(=O)NCC(=O)O
- Exact Mass: 578.15837
- Molecular Formula: C27H26N6O7S
-
Compound CID:
155543755
155543755
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.