Molecule card · MolClass #46032
14729071
14729071: 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
- 14729071Mitochondrial Fusion · compound_name
- MolClass ID
- 46032
- InChIKey
- GZQJVVWHCKCZHG-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccsc1SCCN3(Cc2ccccc2Cl)
- Standard InChI
- InChI=1S/C14H12ClNOS2/c15-12-4-2-1-3-10(12)9-16-6-8-19-14-11(13(16)17)5-7-18-14/h1-5,7H,6,8-9H2
- 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
- 309.837 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.581
- 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 · 14729071