Molecule card · MolClass #48989
24829170
24829170: 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
- 24829170Mitochondrial Fusion · compound_name
- MolClass ID
- 48989
- InChIKey
- KKVCEMBXOHNBRG-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c3ccc(C=Cc1cc[n+](C)c2ccccc12)cc3
- Standard InChI
- InChI=1S/C20H21N2/c1-21(2)18-12-9-16(10-13-18)8-11-17-14-15-22(3)20-7-5-4-6-19(17)20/h4-15H,1-3H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)C=Cc2cc[nH+]c3ccccc23
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.609
- 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 · 24829170