Molecule card · MolClass #35078
17506383
17506383: 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
- 17506383Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 35078
- InChIKey
- AWMRTMAWOOHNGZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C15H10Cl2N2O2S/c1-8-7-22-15(18-8)19-14(20)13-5-4-12(21-13)10-3-2-9(16)6-11(10)17/h2-7H,1H3,(H,18,19,20)
- Stored Murcko scaffold
- n1ccsc1N[CH]c2oc(cc2)-c3ccccc3
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
- 3
- 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
- 83.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.012
- 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 · 17506383