Molecule card · MolClass #92462

AZM463

AZM463: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID: 92462
InChIKey: DWNROPYUHGRJJG-UHFFFAOYSA-N
Canonical SMILES: OC(=O)C(c1ccccc1)N2CCC(CC2)N3CCC(CC3)Oc4ccc(c(c4)Cl)Cl
Standard InChI: InChI=1S/C24H28Cl2N2O3/c25-21-7-6-20(16-22(21)26)31-19-10-14-27(15-11-19)18-8-12-28(13-9-18)23(24(29)30)17-4-2-1-3-5-17/h1-7,16,18-19,23H,8-15H2,(H,29,30)
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)C3CCN(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.

No other molecules currently have this stored 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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 53.01 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 463.397 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.764; 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 · AZM463