Molecule card · MolClass #49529
24795137
24795137: 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
- 24795137Mitochondrial Fusion · compound_name
- MolClass ID
- 49529
- InChIKey
- LCWVNAWOVHXFSG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc2nc(cn12)CSc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C15H13ClN2S/c1-11-3-2-4-15-17-13(9-18(11)15)10-19-14-7-5-12(16)6-8-14/h2-9H,10H2,1H3
- Stored Murcko scaffold
- n1c2ccccn2cc1CSc3ccccc3
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
- 1
- 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
- 42.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.797 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.521
- 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 · 24795137