Molecule card · MolClass #49141
24821896
24821896: 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
- 24821896Mitochondrial Fusion · compound_name
- MolClass ID
- 49141
- InChIKey
- KZPLSHJNCOXKFV-UHFFFAOYSA-N
- Canonical SMILES
- N#CC(c1ccc(cc1)Cl)Sc2ccccn2
- Standard InChI
- InChI=1S/C13H9ClN2S/c14-11-6-4-10(5-7-11)12(9-15)17-13-3-1-2-8-16-13/h1-8,12H
- Stored Murcko scaffold
- n1ccccc1SCc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.743 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.941
- 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 · 24821896