Molecule card · MolClass #41599
24814584
24814584: 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
- 24814584Mitochondrial Fusion · compound_name
- MolClass ID
- 41599
- InChIKey
- FZNXBYJDVXYNJA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N3N=C2CCCCC2C3(O)C(F)(F)F
- Standard InChI
- InChI=1S/C15H17F3N2O3S/c1-10-6-8-11(9-7-10)24(22,23)20-14(21,15(16,17)18)12-4-2-3-5-13(12)19-20/h6-9,12,21H,2-5H2,1H3
- Stored Murcko scaffold
- N1=C2CCCCC2CN1Sc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.497
- 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 · 24814584