Molecule card · MolClass #44296
24799588
24799588: 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
- 24799588Mitochondrial Fusion · compound_name
- MolClass ID
- 44296
- InChIKey
- LCPUFJWGLUNZDO-UHFFFAOYSA-N
- Canonical SMILES
- Fc1cccc(c1)C4CCCCN4(Cc2nc(no2)C3CC3)
- Standard InChI
- InChI=1S/C17H20FN3O/c18-14-5-3-4-13(10-14)15-6-1-2-9-21(15)11-16-19-17(20-22-16)12-7-8-12/h3-5,10,12,15H,1-2,6-9,11H2
- Stored Murcko scaffold
- n1oc(nc1C2CC2)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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.242
- 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 · 24799588