Molecule card · MolClass #39794
24837975
24837975: 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
- 24837975Mitochondrial Fusion · compound_name
- MolClass ID
- 39794
- InChIKey
- OCNCROFSWDYSRJ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nc(O)c2ccsc2(n1)
- Standard InChI
- InChI=1S/C8H8N2OS/c1-2-6-9-7(11)5-3-4-12-8(5)10-6/h3-4H,2H2,1H3,(H,9,10,11)
- Stored Murcko scaffold
- n1cnc2sccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 180.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.483
- 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 · 24837975