Molecule card · MolClass #39282
24818765
24818765: 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
- 24818765Mitochondrial Fusion · compound_name
- MolClass ID
- 39282
- InChIKey
- AISBSBTZTIPGME-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N2NC(=O)C(CCO)=C2(C)
- Standard InChI
- InChI=1S/C13H16N2O4S/c1-9-3-5-11(6-4-9)20(18,19)15-10(2)12(7-8-16)13(17)14-15/h3-6,16H,7-8H2,1-2H3,(H,14,17)
- Stored Murcko scaffold
- S(c1ccccc1)N2C=C[CH]N2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.647
- 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 · 24818765