Molecule card · MolClass #34852
22410723
22410723: 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
- 22410723Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 34852
- InChIKey
- SWXSUXOICZXHGJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1S(=O)(=O)Nc2ncnc3c2c(cs3)c4ccccc4
- Standard InChI
- InChI=1S/C19H15N3O2S2/c1-13-7-5-6-10-16(13)26(23,24)22-18-17-15(14-8-3-2-4-9-14)11-25-19(17)21-12-20-18/h2-12H,1H3,(H,20,21,22)
- Stored Murcko scaffold
- n1cnc(NSc2ccccc2)c3c1scc3-c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.474 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.098
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 22410723