Molecule card · MolClass #41202
17513075
17513075: 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
- 17513075Mitochondrial Fusion · compound_name
- MolClass ID
- 41202
- InChIKey
- LOSMGEJWKBRHBH-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCc1cc(F)ccc1N2S(=O)(=O)c3ccc(nc3)Cl
- Standard InChI
- InChI=1S/C15H14ClFN2O2S/c1-10-2-3-11-8-12(17)4-6-14(11)19(10)22(20,21)13-5-7-15(16)18-9-13/h4-10H,2-3H2,1H3
- Stored Murcko scaffold
- n1cccc(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
- 4
- 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
- 58.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.682
- 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 · 17513075