Molecule card · MolClass #45672
24783402
24783402: 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
- 24783402Mitochondrial Fusion · compound_name
- MolClass ID
- 45672
- InChIKey
- LEOZOXJLWCYANA-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccn3c(C=O)c(c1ccc(F)cc1)c(C=O)c3(c2)
- Standard InChI
- InChI=1S/C17H12FNO2/c1-11-6-7-19-15(8-11)14(9-20)17(16(19)10-21)12-2-4-13(18)5-3-12/h2-10H,1H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccn3c2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.321
- 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 · 24783402