Molecule card · MolClass #48934
24833649
24833649: 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
- 24833649Mitochondrial Fusion · compound_name
- MolClass ID
- 48934
- InChIKey
- QSFBNMBEIQKORM-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1N2CCN(CC2)c3ccc(cc3[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C16H16ClN3O3/c17-12-5-6-13(15(11-12)20(22)23)18-7-9-19(10-8-18)14-3-1-2-4-16(14)21/h1-6,11,21H,7-10H2
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN(c3ccccc3)CC2
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.
- 22401228#34940
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.77 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.39
- 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 · 24833649