Molecule card · MolClass #92291

AZM288

AZM288: 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: 92291
InChIKey: LKPBBFAJPOKZSN-UHFFFAOYSA-N
Canonical SMILES: Cc2oc(cc2(C(=O)Nc1cccc(c1)C(=O)O))c3ccccc3
Standard InChI: InChI=1S/C19H15NO4/c1-12-16(11-17(24-12)13-6-3-2-4-7-13)18(21)20-15-9-5-8-14(10-15)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
Stored Murcko scaffold: o1cc([CH]Nc2ccccc2)cc1-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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 321.327 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.402; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM288