Molecule card · MolClass #46797
24800379
24800379: 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
- 24800379Mitochondrial Fusion · compound_name
- MolClass ID
- 46797
- InChIKey
- RZEXOPAJGMUBCR-NSCUHMNNSA-N
- Canonical SMILES
- Cc3ccc(CN2CCN(CC=Cc1ccc(F)cc1)CC2(CCO))o3
- Standard InChI
- InChI=1S/C21H27FN2O2/c1-17-4-9-21(26-17)16-24-13-12-23(15-20(24)10-14-25)11-2-3-18-5-7-19(22)8-6-18/h2-9,20,25H,10-16H2,1H3/b3-2+
- Stored Murcko scaffold
- o1cccc1CN2CCN(CC=Cc3ccccc3)CC2
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.
- 24799606#48545
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.508
- 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 · 24800379