Molecule card · MolClass #92226
AZM216
AZM216: 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
- 92226
- InChIKey
- MHWQFWUYBKZWOI-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc(nn2(Cc1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C16H15N3S/c1-20-16-17-15(14-10-6-3-7-11-14)18-19(16)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
- Stored Murcko scaffold
- n1cn(nc1-c2ccccc2)Cc3ccccc3
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.
- AZM217#92227
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.466
- 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 · AZM216