Molecule card · MolClass #44375
7969528
7969528: 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
- 7969528Mitochondrial Fusion · compound_name
- MolClass ID
- 44375
- InChIKey
- OBPIKKAFFIRJDT-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(s1)S(=O)(=O)NCc2cn3ccsc3(n2)
- Standard InChI
- InChI=1S/C12H13N3O2S3/c1-2-10-3-4-11(19-10)20(16,17)13-7-9-8-15-5-6-18-12(15)14-9/h3-6,8,13H,2,7H2,1H3
- Stored Murcko scaffold
- n1c2sccn2cc1CNSc3sccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.038
- 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 · 7969528