Molecule card · MolClass #47989
24836016
24836016: 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
- 24836016Mitochondrial Fusion · compound_name
- MolClass ID
- 47989
- InChIKey
- DSQWUEJMKOOCGA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNS(=O)(=O)c1ccc(cc1)Br)C2CCCCC2
- Standard InChI
- InChI=1S/C13H17BrN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,15,17)
- Stored Murcko scaffold
- S(NN[CH]C1CCCCC1)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.844
- 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 · 24836016