(3as,7ar)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
- Other Name: (3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
- InChIKey: PUQHDRPYOGVOMS-QIONWKSUSA-N
- InChI: InChI=1S/C23H30N4O3S/c28-16-7-8-17-19(15-16)23(30)27(22(17)29)10-4-3-9-25-11-13-26(14-12-25)21-18-5-1-2-6-20(18)31-24-21/h1-2,5-6,16-17,19,28H,3-4,7-15H2/t16?,17-,19+/m1/s1
- SMILES: C1CC(C[C@H]2[C@@H]1C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54)O
- Exact Mass: 442.20386
- Molecular Formula: C23H30N4O3S
-
Compound CID:
154699885
154699885
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.