Molecule card · MolClass #51734
14729237
14729237: 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
- 14729237Mitochondrial Fusion · compound_name
- MolClass ID
- 51734
- InChIKey
- USJZZLMWFNXMED-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc2nc(cs2)c3ccccc3
- Standard InChI
- InChI=1S/C18H16N2O3S2/c1-13-7-9-15(10-8-13)25(22,23)12-17(21)20-18-19-16(11-24-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)
- Stored Murcko scaffold
- n1c(scc1-c2ccccc2)N[CH]CSc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.147
- 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 · 14729237