Molecule card · MolClass #49887
22414492
22414492: 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
- 22414492Mitochondrial Fusion · compound_name
- MolClass ID
- 49887
- InChIKey
- GZOFAFIGHQMKMJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)NS(=O)(=O)c2cnc(c(c2)Cl)Cl
- Standard InChI
- InChI=1S/C13H12Cl2N2O3S/c1-2-20-10-5-3-9(4-6-10)17-21(18,19)11-7-12(14)13(15)16-8-11/h3-8,17H,2H2,1H3
- Stored Murcko scaffold
- n1cccc(SNc2ccccc2)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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.218 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.134
- 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 · 22414492