Molecule card · MolClass #45830
24707829
24707829: 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
- 24707829Mitochondrial Fusion · compound_name
- MolClass ID
- 45830
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)(C)OC(=O)NC(CO)c1cn(nn1)C(Cc2cc3ccccc3([nH]2))C(=O)N4CCN(CC4)C(=O)OC(C)(C)C
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(cc1)C([CH]N2CC[N]CC2)Cc3cc4ccccc4[nH]3
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.
- 24707878#45585
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 11
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 14
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 154.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 583.68 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.587
- 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 · 24707829