2-[((2s)-1-{[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl)methyl]-3,5-dihydroxy-3,4-dihydro-1(2h)-isoquinolinone
- Other Name: 2-(((2S)-1-(5-(4-Fluorophenyl)-2-methyl-thiazole-4-carbonyl)-2-piperidyl)methyl)-3,5-dihydroxy-3,4-dihydroisoquinolin-1-one
- InChIKey: IPGNSJNVSLZJCQ-HXBUSHRASA-N
- InChI: InChI=1S/C26H26FN3O4S/c1-15-28-23(24(35-15)16-8-10-17(27)11-9-16)26(34)29-12-3-2-5-18(29)14-30-22(32)13-20-19(25(30)33)6-4-7-21(20)31/h4,6-11,18,22,31-32H,2-3,5,12-14H2,1H3/t18-,22?/m0/s1
- SMILES: CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCC[C@H]3CN4C(CC5=C(C4=O)C=CC=C5O)O
- Exact Mass: 495.16281
- Molecular Formula: C26H26FN3O4S
-
Compound CID:
118753319
118753319
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.