Molecule card · MolClass #48739
14729732
14729732: 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
- 14729732Mitochondrial Fusion · compound_name
- MolClass ID
- 48739
- InChIKey
- ODNUWHHKSQVTMO-LVZFUZTISA-N
- Canonical SMILES
- OC=4Oc1ccccc1C(=Nc3cccc2ccccc23)C=4[N+](=O)[O-]
- Standard InChI
- InChI=1S/C19H12N2O4/c22-19-18(21(23)24)17(14-9-3-4-11-16(14)25-19)20-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H/b20-17+
- Stored Murcko scaffold
- N(=C1C=COc2ccccc12)c3cccc4ccccc34
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.764
- 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 · 14729732