Molecule card · MolClass #30580
24783398
24783398: 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
- 24783398Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 30580
- InChIKey
- AZOHVYIQQDEUMN-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3NC(=O)CC(c1ccsc1)c3(cc2(C))
- Standard InChI
- InChI=1S/C15H15NOS/c1-9-5-13-12(11-3-4-18-8-11)7-15(17)16-14(13)6-10(9)2/h3-6,8,12H,7H2,1-2H3,(H,16,17)
- Stored Murcko scaffold
- s1ccc(c1)C2c3ccccc3N[CH]C2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.708
- 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 · 24783398