Molecule card · MolClass #40530
24792310
24792310: 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
- 24792310Mitochondrial Fusion · compound_name
- MolClass ID
- 40530
- InChIKey
- XQXDYDLGBZVJRE-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(NN1CCOCC1)c2ccc(Cl)s2
- Standard InChI
- InChI=1S/C8H11ClN2O3S2/c9-7-1-2-8(15-7)16(12,13)10-11-3-5-14-6-4-11/h1-2,10H,3-6H2
- Stored Murcko scaffold
- O1CCN(NSc2sccc2)CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.77 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.055
- 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 · 24792310