Molecule card · MolClass #45579
4246716
4246716: 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
- 4246716Mitochondrial Fusion · compound_name
- MolClass ID
- 45579
- InChIKey
- FDFSZJFAAPCOTA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(c(C#N)c(C)c1Cl)S(=O)(=O)N(C)Cc2ccccc2
- Standard InChI
- InChI=1S/C16H16ClN3O2S/c1-11-14(9-18)16(19-12(2)15(11)17)23(21,22)20(3)10-13-7-5-4-6-8-13/h4-8H,10H2,1-3H3
- Stored Murcko scaffold
- n1ccccc1SNCc2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.837 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.543
- 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 · 4246716