Molecule card · MolClass #35832
24793371
24793371: 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
- 24793371Mitochondrial Fusion · compound_name
- MolClass ID
- 35832
- InChIKey
- VJVUQVSBOADAJG-UHFFFAOYSA-N
- Canonical SMILES
- CCON4C(=O)C(c2cccc1ccccc12)=[N+]([O-])c3ccccc34
- Standard InChI
- InChI=1S/C20H16N2O3/c1-2-25-22-18-13-6-5-12-17(18)21(24)19(20(22)23)16-11-7-9-14-8-3-4-10-15(14)16/h3-13H,2H2,1H3
- Stored Murcko scaffold
- n1cc([nH+]c2ccccc12)-c3cccc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.726
- 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 · 24793371