Molecule card · MolClass #92592
AZM602
AZM602: 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
- 92592
- InChIKey
- CGPUMTTUBWGRHT-SANMLTNESA-N
- Canonical SMILES
- [H]C(Cc1cccc(C)c1)(C(=O)O)N2CCC(CC2)CN3CCC(CC3)Oc4ccc(c(c4)Cl)Cl
- Standard InChI
- InChI=1S/C27H34Cl2N2O3/c1-19-3-2-4-21(15-19)16-26(27(32)33)31-13-7-20(8-14-31)18-30-11-9-22(10-12-30)34-23-5-6-24(28)25(29)17-23/h2-6,15,17,20,22,26H,7-14,16,18H2,1H3,(H,32,33)/t26-/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
- 505.477 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.792
- 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 · AZM602