Molecule card · MolClass #41134
14737191
14737191: 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
- 14737191Mitochondrial Fusion · compound_name
- MolClass ID
- 41134
- InChIKey
- HYKGNOPAMFGMDM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N=S(CC2CC2(Cl)Cl)CC3CC3(Cl)Cl
- Standard InChI
- InChI=1S/C15H17Cl4NO2S2/c1-10-2-4-13(5-3-10)24(21,22)20-23(8-11-6-14(11,16)17)9-12-7-15(12,18)19/h2-5,11-12H,6-9H2,1H3
- Stored Murcko scaffold
- N(Sc1ccccc1)=S(CC2CC2)CC3CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 449.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.448
- 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 · 14737191