Molecule card · MolClass #44249
24818197
24818197: 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
- 24818197Mitochondrial Fusion · compound_name
- MolClass ID
- 44249
- InChIKey
- SBBSYDJACJBNAS-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(NC(=O)c1ccc(cc1Cl)Cl)c3ccsc23
- Standard InChI
- InChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)
- Stored Murcko scaffold
- s1ccc2c1[CH]CC2N[CH]c3ccccc3
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.
- 24821805#47504
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 74.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.199 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.998
- 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 · 24818197