Molecule card · MolClass #44222
14739931
14739931: 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
- 14739931Mitochondrial Fusion · compound_name
- MolClass ID
- 44222
- InChIKey
- DLZZXXGQJCWOAQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccsc1SCCN3(Cc2c(cccc2Cl)Cl)
- Standard InChI
- InChI=1S/C14H11Cl2NOS2/c15-11-2-1-3-12(16)10(11)8-17-5-7-20-14-9(13(17)18)4-6-19-14/h1-4,6H,5,7-8H2
- 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 · 14739931