Molecule card · MolClass #48498
24820671
24820671: 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
- 24820671Mitochondrial Fusion · compound_name
- MolClass ID
- 48498
- InChIKey
- YZRCESFZSOUQHR-UHFFFAOYSA-N
- Canonical SMILES
- CCn1cc(nc1(O))S(=O)(=O)c2ccc(C)cc2
- Standard InChI
- InChI=1S/C12H14N2O3S/c1-3-14-8-11(13-12(14)15)18(16,17)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,13,15)
- Stored Murcko scaffold
- n1c[nH]cc1Sc2ccccc2
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.
- 24824608#39229
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.51
- 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 · 24820671