Molecule card · MolClass #38870
24805823
24805823: 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
- 24805823Mitochondrial Fusion · compound_name
- MolClass ID
- 38870
- InChIKey
- CXUPAXZWFHDDIY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1C(=O)OC(=Nc1s2)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C13H8FNO2S/c1-7-6-10-12(18-7)15-11(17-13(10)16)8-2-4-9(14)5-3-8/h2-6H,1H3
- Stored Murcko scaffold
- N1=C(O[CH]c2ccsc12)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
- 261.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.853
- 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 · 24805823