Molecule card · MolClass #92472

AZM473

AZM473: 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: 92472
InChIKey: HDZASNXPWCPDLU-UHFFFAOYSA-N
Canonical SMILES: OC(=O)COc2ccc(cc2(c1ccccc1))c3nccs3
Standard InChI: InChI=1S/C17H13NO3S/c19-16(20)11-21-15-7-6-13(17-18-8-9-22-17)10-14(15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,20)
Stored Murcko scaffold: n1ccsc1-c2cccc(c2)-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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 87.66 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 311.357 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.404; 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 · AZM473