Molecule card · MolClass #43433
4257298
4257298: 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
- 4257298Mitochondrial Fusion · compound_name
- MolClass ID
- 43433
- InChIKey
- Not recorded
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)COC(=O)CCc2c[nH]c(O)n2
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]cc1CC[CH]OC[CH]Nc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.464
- 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 · 4257298