Molecule card · MolClass #92941
AZM962
AZM962: 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
- 92941
- InChIKey
- FCOCYTOIHCBAPZ-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc3nc(C)cc(OCC(=O)Nc1ccccc1(OC))c3(c2)
- Standard InChI
- InChI=1S/C20H20N2O4/c1-13-10-19(15-11-14(24-2)8-9-16(15)21-13)26-12-20(23)22-17-6-4-5-7-18(17)25-3/h4-11H,12H2,1-3H3,(H,22,23)
- Stored Murcko scaffold
- n1ccc(OC[CH]Nc2ccccc2)c3ccccc13
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.
- AZM965#92944
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.923
- 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 · AZM962