Molecule card · MolClass #44557
24824996
24824996: 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
- 24824996Mitochondrial Fusion · compound_name
- MolClass ID
- 44557
- InChIKey
- YNVIDKZEFPJJBN-HWKANZROSA-N
- Canonical SMILES
- COC(=O)C=C1NC(=O)C(C)S1
- Standard InChI
- InChI=1S/C7H9NO3S/c1-4-7(10)8-5(12-4)3-6(9)11-2/h3-4H,1-2H3,(H,8,10)/b5-3+
- Stored Murcko scaffold
- S1[CH]N[CH]C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 187.218 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.527
- 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 · 24824996