Molecule card · MolClass #39586
24806504
24806504: 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
- 24806504Mitochondrial Fusion · compound_name
- MolClass ID
- 39586
- InChIKey
- AZHZSFDQHQKYTG-UHFFFAOYSA-O
- Canonical SMILES
- CC[n+]2ccccc2(C=CNc1ccccc1)
- Standard InChI
- InChI=1S/C15H16N2/c1-2-17-13-7-6-10-15(17)11-12-16-14-8-4-3-5-9-14/h3-13H,2H2,1H3/p+1
- Stored Murcko scaffold
- c1ccc(cc1)NC=Cc2cccc[nH+]2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.549
- 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 · 24806504