Molecule card · MolClass #38594
24781452
24781452: 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
- 24781452Mitochondrial Fusion · compound_name
- MolClass ID
- 38594
- InChIKey
- Not recorded
- Canonical SMILES
- Cc3ccc4[nH]c1c(CCN2C(=O)OC(C)(C)C12(C))c4(c3)
- Standard InChI
- null
- Stored Murcko scaffold
- O1[CH]N2CCc3c4ccccc4[nH]c3C2C1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.29
- 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 · 24781452