Molecule card · MolClass #92925
AZM946
AZM946: 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
- 92925
- InChIKey
- YKJGGEMOMSRCDT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccc3nc(N)nn3(c2)
- Standard InChI
- InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19)
- Stored Murcko scaffold
- n1cccc(c1)-c2ccc3ncnn3c2
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.
- AZM941#92920
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.226
- 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 · AZM946