Molecule card · MolClass #50208
22403081
22403081: 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
- 22403081Mitochondrial Fusion · compound_name
- MolClass ID
- 50208
- InChIKey
- OXZZDHLEOMDCOJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(NC(=O)COc2ccccc2(c1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C22H21NO2/c1-17(18-10-4-2-5-11-18)23-22(24)16-25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
- Stored Murcko scaffold
- O(c1ccccc1-c2ccccc2)C[CH]NCc3ccccc3
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.
- 17516062#50341
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.285
- 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 · 22403081