Molecule card · MolClass #51782
14728497
14728497: 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
- 14728497Mitochondrial Fusion · compound_name
- MolClass ID
- 51782
- InChIKey
- DITPTOSPMIZMEI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1c2ccc(o2)C(=O)Nc3cccc(F)c3
- Standard InChI
- InChI=1S/C18H14FNO2/c1-12-5-2-3-8-15(12)16-9-10-17(22-16)18(21)20-14-7-4-6-13(19)11-14/h2-11H,1H3,(H,20,21)
- Stored Murcko scaffold
- o1c(ccc1-c2ccccc2)[CH]Nc3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.244
- 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 · 14728497