Molecule card · MolClass #43478
3711915
3711915: 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
- 3711915Mitochondrial Fusion · compound_name
- MolClass ID
- 43478
- InChIKey
- OFCLBMHKZAVAPJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)C(=O)Cc2cn3ccsc3(n2)
- Standard InChI
- InChI=1S/C12H12N4OS/c1-8-5-9(2)16(14-8)11(17)6-10-7-15-3-4-18-12(15)13-10/h3-5,7H,6H2,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]Cc2nc3sccn3c2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 80.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.596
- 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 · 3711915