Molecule card · MolClass #46421
14727795
14727795: 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
- 14727795Mitochondrial Fusion · compound_name
- MolClass ID
- 46421
- InChIKey
- Not recorded
- Canonical SMILES
- CN2C(=O)C(=C(O)c1ccccc12)C(=Nc3ccccc3C(C)(C)C)c4nn[nH]n4
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc(n[nH]1)C(=Nc2ccccc2)c3cnc4ccccc4c3
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.
- 14727795#27298
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.551
- 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 · 14727795