Molecule card · MolClass #92434
AZM434
AZM434: 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
- 92434
- InChIKey
- SALFYSVZWBAPFL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccccc1Cl)c3cccnc3(Oc2ccccc2)
- Standard InChI
- InChI=1S/C19H15ClN2O2/c20-17-11-5-4-7-14(17)13-22-18(23)16-10-6-12-21-19(16)24-15-8-2-1-3-9-15/h1-12H,13H2,(H,22,23)
- Stored Murcko scaffold
- n1cccc([CH]NCc2ccccc2)c1Oc3ccccc3
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.
- AZM433#92433
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.788 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.716
- 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 · AZM434