Molecule card · MolClass #48749
17516978
17516978: 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
- 17516978Mitochondrial Fusion · compound_name
- MolClass ID
- 48749
- InChIKey
- HRLFZLIEWUUTQD-UHFFFAOYSA-N
- Canonical SMILES
- CC(CNS(=O)(=O)c1ccccc1)(c2ccccc2)N3CCOCC3
- Standard InChI
- InChI=1S/C19H24N2O3S/c1-19(17-8-4-2-5-9-17,21-12-14-24-15-13-21)16-20-25(22,23)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3
- Stored Murcko scaffold
- O1CCN(CC1)C(c2ccccc2)CNSc3ccccc3
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
- 67.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.472 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.247
- 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 · 17516978