Molecule card · MolClass #15643
2062164
2062164: 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
- MolClass ID
- 15643
- InChIKey
- UWINDDVLTLZKHF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc2nc(cn12)CS(=O)(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C13H11ClN2O2S2/c1-9-7-19-13-15-11(6-16(9)13)8-20(17,18)12-4-2-10(14)3-5-12/h2-7H,8H2,1H3
- Stored Murcko scaffold
- n1c2sccn2cc1CSc3ccccc3
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.824 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.355
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2062164