Molecule card · MolClass #37999
24810081
24810081: 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
- 24810081Mitochondrial Fusion · compound_name
- MolClass ID
- 37999
- InChIKey
- NDDFSCVPXOKXNN-UHFFFAOYSA-N
- Canonical SMILES
- C=Cn2cc[n+](CC(=O)c1ccc(C)cc1)c2
- Standard InChI
- InChI=1S/C14H15N2O/c1-3-15-8-9-16(11-15)10-14(17)13-6-4-12(2)5-7-13/h3-9,11H,1,10H2,2H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C[n+]2cc[nH]c2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.129
- 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 · 24810081