Molecule card · MolClass #92287

AZM284

AZM284: 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: 92287
InChIKey: WUZBHFVSOTXJPF-UHFFFAOYSA-N
Canonical SMILES: COc3ccccc3(C(=O)Nc1ccc(cc1)Cc2ccncc2)
Standard InChI: InChI=1S/C20H18N2O2/c1-24-19-5-3-2-4-18(19)20(23)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
Stored Murcko scaffold: n1ccc(cc1)Cc2ccc(cc2)N[CH]c3ccccc3

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: 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 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 318.37 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.622; 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 · AZM284