Molecule card · MolClass #42275
24837559
24837559: 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
- 24837559Mitochondrial Fusion · compound_name
- MolClass ID
- 42275
- InChIKey
- FNGYJJGKCMXAOZ-UHFFFAOYSA-N
- Canonical SMILES
- Fc3ccc(CSc2nnc1ccccn12)c(c3)Cl
- Standard InChI
- InChI=1S/C13H9ClFN3S/c14-11-7-10(15)5-4-9(11)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2
- Stored Murcko scaffold
- n1nc2ccccn2c1SCc3ccccc3
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
- 55.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.749 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.755
- 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 · 24837559