Molecule card · MolClass #49109
24825067
24825067: 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
- 24825067Mitochondrial Fusion · compound_name
- MolClass ID
- 49109
- InChIKey
- SZZMIYAAGIQGBO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2nc1ccc(F)cc1s2)c3ccccn3
- Standard InChI
- InChI=1S/C13H8FN3OS/c14-8-4-5-9-11(7-8)19-13(16-9)17-12(18)10-3-1-2-6-15-10/h1-7H,(H,16,17,18)
- Stored Murcko scaffold
- n1ccccc1[CH]Nc2nc3ccccc3s2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.9
- 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 · 24825067