Molecule card · MolClass #47054
4248326
4248326: 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
- 4248326Mitochondrial Fusion · compound_name
- MolClass ID
- 47054
- InChIKey
- FCWQELCRKXIDFO-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCc1cc(F)ccc1N2S(=O)(=O)c3c(C)nc(O)nc3(O)
- Standard InChI
- InChI=1S/C15H16FN3O4S/c1-8-3-4-10-7-11(16)5-6-12(10)19(8)24(22,23)13-9(2)17-15(21)18-14(13)20/h5-8H,3-4H2,1-2H3,(H2,17,18,20,21)
- Stored Murcko scaffold
- n1cncc(SN2c3ccccc3CCC2)c1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.747
- 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 · 4248326