Molecule card · MolClass #45708
4263254
4263254: 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
- 4263254Mitochondrial Fusion · compound_name
- MolClass ID
- 45708
- InChIKey
- OFISLNLJHYDPQK-UHFFFAOYSA-N
- Canonical SMILES
- CSc1nc(nn1S(=O)(=O)c2ccccc2)c3ccco3
- Standard InChI
- InChI=1S/C13H11N3O3S2/c1-20-13-14-12(11-8-5-9-19-11)15-16(13)21(17,18)10-6-3-2-4-7-10/h2-9H,1H3
- Stored Murcko scaffold
- n1cn(nc1-c2occc2)Sc3ccccc3
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.
- 24790224#42527
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.503
- 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 · 4263254