Molecule card · MolClass #48035
24819551
24819551: 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
- 24819551Mitochondrial Fusion · compound_name
- MolClass ID
- 48035
- InChIKey
- MJIXXDBVPOZQDI-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C=1CS(=O)(=O)CC=1S(=O)(=O)c2ccc(C)cc2
- Standard InChI
- InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)C2=CCSC2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.488
- 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 · 24819551