Molecule card · MolClass #92530
AZM534
AZM534: 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
- 92530
- InChIKey
- HRKZXQNAOGAMTP-UHFFFAOYSA-N
- Canonical SMILES
- OC(=O)CSCC(=O)Nc1nc(cs1)c2ccccc2
- Standard InChI
- InChI=1S/C13H12N2O3S2/c16-11(7-19-8-12(17)18)15-13-14-10(6-20-13)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,17,18)(H,14,15,16)
- Stored Murcko scaffold
- n1cscc1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.737
- 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.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM534