Molecule card · MolClass #44225
14739798
14739798: 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
- 14739798Mitochondrial Fusion · compound_name
- MolClass ID
- 44225
- InChIKey
- SZLAVMJYYUQKHW-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc2C(=O)N(C=Cc12)CC(=O)N3CCCCC3
- Standard InChI
- InChI=1S/C17H20N2O3/c1-22-15-7-5-6-14-13(15)8-11-19(17(14)21)12-16(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3
- Stored Murcko scaffold
- c1ccc2[CH]N(C=Cc2c1)C[CH]N3CCCCC3
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.
- 14735591#45569
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.79
- 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 · 14739798