Molecule card · MolClass #4191
148193-37-7
148193-37-7: 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
- 4191
- InChIKey
- SZAVJMSBSRKTQG-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccc2C(=O)NSc2(c1)
- Standard InChI
- InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,8H2,(H,9,10)
- Stored Murcko scaffold
- S1N[CH]c2ccccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 166.202 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.856
- 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.
Toxicity Benchmark
Dataset #5 · 148193-37-7