Molecule card · MolClass #49358
24809581
24809581: 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
- 24809581Mitochondrial Fusion · compound_name
- MolClass ID
- 49358
- InChIKey
- QAEVISBVCAQBHL-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCC[n+]2cccc1c3ccccc3(ccc12)
- Standard InChI
- InChI=1S/C21H26N/c1-2-3-4-5-6-9-16-22-17-10-13-20-19-12-8-7-11-18(19)14-15-21(20)22/h7-8,10-15,17H,2-6,9,16H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc2c(c1)ccc3[nH+]cccc32
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 3.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 8.488
- 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 · 24809581