Molecule card · MolClass #42099
14730140
14730140: 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
- 14730140Mitochondrial Fusion · compound_name
- MolClass ID
- 42099
- InChIKey
- WAESZBXXLFRQBF-UHFFFAOYSA-N
- Canonical SMILES
- O=C1OC(=Nc2ccsc12)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C12H6FNO2S/c13-8-3-1-7(2-4-8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H
- Stored Murcko scaffold
- N1=C(O[CH]c2sccc12)c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.555
- 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 · 14730140