Molecule card · MolClass #42790
24799327
24799327: 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
- 24799327Mitochondrial Fusion · compound_name
- MolClass ID
- 42790
- InChIKey
- PGOFEELMHBRVSD-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)C4CCCCN4(Cc3nc(CC2CC2)no3)
- Standard InChI
- InChI=1S/C18H22FN3O/c19-15-8-6-14(7-9-15)16-3-1-2-10-22(16)12-18-20-17(21-23-18)11-13-4-5-13/h6-9,13,16H,1-5,10-12H2
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCCCC3c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.026
- 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 · 24799327