Molecule card · MolClass #45292
14728146
14728146: 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
- 14728146Mitochondrial Fusion · compound_name
- MolClass ID
- 45292
- InChIKey
- SHVUHSCYXGXOEY-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(=O)CCCCCCCCCC1C2(CS1(=O)(=O))N3CCOCC3
- Standard InChI
- InChI=1S/C19H33NO4S/c1-16-17(21)9-7-5-3-2-4-6-8-10-18-19(16,15-25(18,22)23)20-11-13-24-14-12-20/h16,18H,2-15H2,1H3
- Stored Murcko scaffold
- O1CCN(CC1)C23CSC3CCCCCCCCC[CH]C2
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.536 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.745
- 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 · 14728146