Molecule card · MolClass #52124
4255886
4255886: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4255886Mitochondrial Fusion · compound_name
- MolClass ID
- 52124
- InChIKey
- UFYGYVBTXWYKNC-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Oc1ccc(cc1)N(C(C)=O)S(=O)(=O)c2cccs2
- Standard InChI
- InChI=1S/C14H13NO5S2/c1-10(16)15(22(18,19)14-4-3-9-21-14)12-5-7-13(8-6-12)20-11(2)17/h3-9H,1-2H3
- Stored Murcko scaffold
- [N](Sc1sccc1)c2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.312
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 4255886