Molecule card · MolClass #26110
24819734
24819734: 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
- 24819734Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 26110
- InChIKey
- WULKKVBHCWANTM-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)N2Cc3ccsc3(C=N2)
- Standard InChI
- InChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-8-9-5-6-16-12(9)7-14-15/h1-7H,8H2
- Stored Murcko scaffold
- N1=Cc2sccc2CN1c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.037
- 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 · 24819734