Molecule card · MolClass #92286

AZM283

AZM283: 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: 92286
InChIKey: VSCFCLMHARXISZ-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)c3c(C)n(Cc1ccco1)c2ccc(O)cc23
Standard InChI: InChI=1S/C17H17NO4/c1-3-21-17(20)16-11(2)18(10-13-5-4-8-22-13)15-7-6-12(19)9-14(15)16/h4-9,19H,3,10H2,1-2H3
Stored Murcko scaffold: o1cccc1Cn2ccc3ccccc32

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.

3024615#17808
47198743#33765

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 64.6 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 299.322 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.993; 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 · AZM283