Molecule card · MolClass #51975
7973836
7973836: 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
- 7973836Mitochondrial Fusion · compound_name
- MolClass ID
- 51975
- InChIKey
- SIJVQXJNIUPMQA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N2CCN(C2(c1ccc(cc1)OC))S(=O)(=O)c3ccc(C)cc3
- Standard InChI
- InChI=1S/C20H24N2O5S/c1-4-27-20(23)21-13-14-22(19(21)16-7-9-17(26-3)10-8-16)28(24,25)18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3
- Stored Murcko scaffold
- [N]1CCN(Sc2ccccc2)C1c3ccccc3
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
- 6
- 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
- 84.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.438
- 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 · 7973836