Molecule card · MolClass #46098
24804215
24804215: 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
- 24804215Mitochondrial Fusion · compound_name
- MolClass ID
- 46098
- InChIKey
- QELQZYBOSICZNJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c[n+](c1)C[n+]2cc(C)cc(C)c2
- Standard InChI
- InChI=1S/C15H20N2/c1-12-5-13(2)8-16(7-12)11-17-9-14(3)6-15(4)10-17/h5-10H,11H2,1-4H3/q+2
- Stored Murcko scaffold
- c1cc[n+](cc1)C[n+]2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.007
- 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 · 24804215