Molecule card · MolClass #42248
859506
859506: 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
- 859506Mitochondrial Fusion · compound_name
- MolClass ID
- 42248
- InChIKey
- HUZQOJZBFAOJJW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)N3C(=O)CSC3(c2cccs2)
- Standard InChI
- InChI=1S/C15H15NOS2/c1-10-6-11(2)8-12(7-10)16-14(17)9-19-15(16)13-4-3-5-18-13/h3-8,15H,9H2,1-2H3
- Stored Murcko scaffold
- s1cccc1C2SC[CH]N2c3ccccc3
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.
- 3713932#39588
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
- 289.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.042
- 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 · 859506