Molecule card · MolClass #42417
3715965
3715965: 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
- 3715965Mitochondrial Fusion · compound_name
- MolClass ID
- 42417
- InChIKey
- Not recorded
- Canonical SMILES
- CC3CCCCC23(NC(=O)N(CC(=O)c1ccc[nH]1)C2(=O))
- Standard InChI
- null
- Stored Murcko scaffold
- c1c[nH]c(c1)[CH]CN2[CH]NC3([CH]2)CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.302
- 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 · 3715965