Molecule card · MolClass #49055
24826909
24826909: 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
- 24826909Mitochondrial Fusion · compound_name
- MolClass ID
- 49055
- InChIKey
- OXDDHNUWUCZFOE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)NC(=O)CNC3CCCc2ccccc23
- Standard InChI
- InChI=1S/C22H28N2O/c1-22(2,3)17-11-13-18(14-12-17)24-21(25)15-23-20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-14,20,23H,6,8,10,15H2,1-3H3,(H,24,25)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CNC2c3ccccc3CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.965
- 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 · 24826909