Molecule card · MolClass #52324
863355
863355: 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
- 863355Mitochondrial Fusion · compound_name
- MolClass ID
- 52324
- InChIKey
- MJMCKBPRVIXTQU-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4nc(Cc2cccc1ccccc12)oc4(NCc3ccc(F)cc3)
- Standard InChI
- InChI=1S/C22H16FN3O/c23-18-10-8-15(9-11-18)14-25-22-20(13-24)26-21(27-22)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,25H,12,14H2
- Stored Murcko scaffold
- n1cc(oc1Cc2cccc3ccccc32)NCc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.939
- 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 · 863355