Molecule card · MolClass #92340
AZM338
AZM338: 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
- 92340
- InChIKey
- RTOVDRRASKFSTF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1)N4CCC2(CCN(CC2)Cc3cccc(c3)Cl)CC4
- Standard InChI
- InChI=1S/C23H27ClN2O/c24-21-8-4-5-19(17-21)18-25-13-9-23(10-14-25)11-15-26(16-12-23)22(27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2CCC3(CC2)CCN(Cc4ccccc4)CC3
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.
- AZM333#92335
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.927 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.97
- 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 · AZM338