Molecule card · MolClass #35985
14724541
14724541: 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
- 14724541Mitochondrial Fusion · compound_name
- MolClass ID
- 35985
- InChIKey
- SPXSPOSYQMJSMI-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2NC(C)(C)C3=C(c2(c1))C(=S)SS3
- Standard InChI
- InChI=1S/C13H13NOS3/c1-13(2)11-10(12(16)18-17-11)8-6-7(15-3)4-5-9(8)14-13/h4-6,14H,1-3H3
- Stored Murcko scaffold
- S1SC2=C([CH]1)c3ccccc3NC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.382
- 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 · 14724541