Molecule card · MolClass #44665
24808501
24808501: 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
- 24808501Mitochondrial Fusion · compound_name
- MolClass ID
- 44665
- InChIKey
- HKQROWSBHJWGRE-UHFFFAOYSA-N
- Canonical SMILES
- CC[n+]2c1ccc(cc1sc2(C))OC
- Standard InChI
- InChI=1S/C11H14NOS/c1-4-12-8(2)14-11-7-9(13-3)5-6-10(11)12/h5-7H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- s1c[nH+]c2ccccc12
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
- 0
- 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
- 41.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.086
- 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 · 24808501