Molecule card · MolClass #92123
AZM89
AZM89: 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
- 92123
- InChIKey
- LZURCICLQQQODJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccccn1c2c3ccnc(N)n3
- Standard InChI
- InChI=1S/C12H11N5/c1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8/h2-7H,1H3,(H2,13,14,16)
- Stored Murcko scaffold
- n1cnc(cc1)-c2cnc3ccccn32
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.
- 26729257#27047
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.895
- 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 · AZM89