Molecule card · MolClass #92823
AZM843
AZM843: 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
- 92823
- InChIKey
- DYQDEFDGNZGSGE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c1c(O)ncnc1sc3(C(=O)Nc2ccccc2)
- Standard InChI
- InChI=1S/C14H11N3O2S/c1-8-10-12(18)15-7-16-14(10)20-11(8)13(19)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,17,19)(H,15,16,18)
- Stored Murcko scaffold
- n1cnc2sc([CH]Nc3ccccc3)cc2c1
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.
- K821-0036#24871
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.692
- 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 · AZM843