Molecule card · MolClass #92139
AZM115
AZM115: 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
- 92139
- InChIKey
- APQCIRNWAACMSD-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c2ccnc1c2(c(N)c(C(N)=O)s1)
- Standard InChI
- InChI=1S/C10H12N4OS/c1-14(2)5-3-4-13-10-6(5)7(11)8(16-10)9(12)15/h3-4H,11H2,1-2H3,(H2,12,15)
- Stored Murcko scaffold
- n1cccc2ccsc12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.292
- 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 · AZM115