Molecule card · MolClass #46290
4249601
4249601: 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
- 4249601Mitochondrial Fusion · compound_name
- MolClass ID
- 46290
- InChIKey
- CUYRWAZJMNJTTR-UHFFFAOYSA-N
- Canonical SMILES
- OCCNC(=O)C2=Cc1ccccc1C(=O)S2
- Standard InChI
- InChI=1S/C12H11NO3S/c14-6-5-13-11(15)10-7-8-3-1-2-4-9(8)12(16)17-10/h1-4,7,14H,5-6H2,(H,13,15)
- Stored Murcko scaffold
- S1C=Cc2ccccc2[CH]1
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
- 4
- 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
- 91.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.769
- 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 · 4249601