Molecule card · MolClass #45907
24824492
24824492: 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
- 24824492Mitochondrial Fusion · compound_name
- MolClass ID
- 45907
- InChIKey
- SJUOVBQXUQFFOY-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1ccc(cc1)S(=O)(=O)Nn2cnnc2
- Standard InChI
- InChI=1S/C10H11N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7,14H,1H3,(H,13,16)
- Stored Murcko scaffold
- n1ncn(c1)NSc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.087
- 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 · 24824492