Molecule card · MolClass #47923
14729764
14729764: 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
- 14729764Mitochondrial Fusion · compound_name
- MolClass ID
- 47923
- InChIKey
- SEOPOSSXKAUCKH-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccsc1SCCN3(Cc2ccc(cc2Cl)Cl)
- Standard InChI
- InChI=1S/C14H11Cl2NOS2/c15-10-2-1-9(12(16)7-10)8-17-4-6-20-14-11(13(17)18)3-5-19-14/h1-3,5,7H,4,6,8H2
- Stored Murcko scaffold
- s1ccc2[CH]N(Cc3ccccc3)CCSc12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.203
- 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 · 14729764