Molecule card · MolClass #47902
14735566
14735566: 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
- 14735566Mitochondrial Fusion · compound_name
- MolClass ID
- 47902
- InChIKey
- LQFKQJUZZCYZTB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c2ccc(CS(=O)(=O)Cc1ccccc1(F))o2
- Standard InChI
- InChI=1S/C13H11FO5S/c14-11-4-2-1-3-9(11)7-20(17,18)8-10-5-6-12(19-10)13(15)16/h1-6H,7-8H2,(H,15,16)
- Stored Murcko scaffold
- o1cccc1CSCc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.466
- 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 · 14735566