Molecule card · MolClass #92508
AZM511
AZM511: 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
- 92508
- InChIKey
- KCLONPRRKHVPLU-VWLOTQADSA-N
- Canonical SMILES
- [H]C(Cc1ccc(cc1)Cl)(C(O)=O)N2CCC(CC2)CN3CCC(CC3)Oc4ccc(c(c4)Cl)Cl
- Standard InChI
- InChI=1S/C26H31Cl3N2O3/c27-20-3-1-18(2-4-20)15-25(26(32)33)31-13-7-19(8-14-31)17-30-11-9-21(10-12-30)34-22-5-6-23(28)24(29)16-22/h1-6,16,19,21,25H,7-15,17H2,(H,32,33)/t25-/m0/s1
- Stored Murcko scaffold
- O(c1ccccc1)C2CCN(CC2)CC3CCN(CCc4ccccc4)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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 525.896 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.977
- 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 · AZM511