Molecule card · MolClass #42458
24818995
24818995: 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
- 24818995Mitochondrial Fusion · compound_name
- MolClass ID
- 42458
- InChIKey
- WRQDHAHVBNSCFW-LCYFTJDESA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)C(=CN(C)C)c2cnc(Cl)s2
- Standard InChI
- InChI=1S/C14H15ClN2O2S2/c1-10-4-6-11(7-5-10)21(18,19)13(9-17(2)3)12-8-16-14(15)20-12/h4-9H,1-3H3/b13-9-
- Stored Murcko scaffold
- n1csc(c1)[CH]Sc2ccccc2
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.
- 24819115#31315
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.867 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.633
- 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 · 24818995