Molecule card · MolClass #44490
24803520
24803520: 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
- 24803520Mitochondrial Fusion · compound_name
- MolClass ID
- 44490
- InChIKey
- UOTYWJUVELGPDX-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2NS(=O)(=O)N=C2(N)
- Standard InChI
- InChI=1S/C9H11N3O3S/c1-15-7-4-2-6(3-5-7)8-9(10)12-16(13,14)11-8/h2-5,8,11H,1H3,(H2,10,12)
- Stored Murcko scaffold
- N=1SNC(C1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.243
- 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 · 24803520