Molecule card · MolClass #42527
24790224
24790224: 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
- 24790224Mitochondrial Fusion · compound_name
- MolClass ID
- 42527
- InChIKey
- RVTQWXROMLQGGA-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc(nn1S(=O)(=O)c2ccc(cc2)Cl)c3ccco3
- Standard InChI
- InChI=1S/C12H9ClN4O3S/c13-8-3-5-9(6-4-8)21(18,19)17-12(14)15-11(16-17)10-2-1-7-20-10/h1-7H,(H2,14,15,16)
- Stored Murcko scaffold
- n1cn(nc1-c2occc2)Sc3ccccc3
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.
- 4263254#45708
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 112.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.744 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.906
- 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 · 24790224