Molecule card · MolClass #49704
24785745
24785745: 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
- 24785745Mitochondrial Fusion · compound_name
- MolClass ID
- 49704
- InChIKey
- AXQUMZANGFHURI-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1ccc(cc1)C[n+]4cccc3ccc2cccnc2c34
- Standard InChI
- InChI=1S/C19H14N3O2/c23-22(24)17-9-5-14(6-10-17)13-21-12-2-4-16-8-7-15-3-1-11-20-18(15)19(16)21/h1-12H,13H2/q+1
- Stored Murcko scaffold
- n1cccc2ccc3ccc[n+](c3c12)Cc4ccccc4
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
- 59.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.29
- 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 · 24785745