Molecule card · MolClass #92560

AZM565

AZM565: 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: 92560
InChIKey: ADLFDMYTCQSNOH-UHFFFAOYSA-N
Canonical SMILES: O=C(NCc1ccccc1)c2cc(on2)c3ccco3
Standard InChI: InChI=1S/C15H12N2O3/c18-15(16-10-11-5-2-1-3-6-11)12-9-14(20-17-12)13-7-4-8-19-13/h1-9H,10H2,(H,16,18)
Stored Murcko scaffold: n1oc(cc1[CH]NCc2ccccc2)-c3occc3

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: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 68.27 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 268.268 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.43; 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 · AZM565