Molecule card · MolClass #51726
14729036
14729036: 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
- 14729036Mitochondrial Fusion · compound_name
- MolClass ID
- 51726
- InChIKey
- FYICUJZMVZVTIF-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(c1ccc(c(c1)Cl)Cl)c2c(nns2)c3ccccc3
- Standard InChI
- InChI=1S/C14H8Cl2N2O2S2/c15-11-7-6-10(8-12(11)16)22(19,20)14-13(17-18-21-14)9-4-2-1-3-5-9/h1-8H
- Stored Murcko scaffold
- n1nc(c(s1)Sc2ccccc2)-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.
- 1908590#17164
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 96.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.518
- 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 · 14729036