Molecule card · MolClass #51370
14744884
14744884: 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
- 14744884Mitochondrial Fusion · compound_name
- MolClass ID
- 51370
- InChIKey
- SENSWESYERGKEI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3ccc(CSC2=Nc1ccccc1C(=O)N2(CC(C)C))o3
- Standard InChI
- InChI=1S/C19H20N2O4S/c1-12(2)10-21-17(22)14-6-4-5-7-15(14)20-19(21)26-11-13-8-9-16(25-13)18(23)24-3/h4-9,12H,10-11H2,1-3H3
- Stored Murcko scaffold
- n1cc2ccccc2nc1SCc3occc3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.76
- 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 · 14744884