Molecule card · MolClass #92243

AZM233

AZM233: 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: 92243
InChIKey: CFJZMADAGPVECG-UHFFFAOYSA-N
Canonical SMILES: [H]n2cccc2(C(=O)NS(=O)(=O)c1ccccc1Cl)
Standard InChI: InChI=1S/C11H9ClN2O3S/c12-8-4-1-2-6-10(8)18(16,17)14-11(15)9-5-3-7-13-9/h1-7,13H,(H,14,15)
Stored Murcko scaffold: S(N[CH]c1ccc[nH]1)c2ccccc2

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 87.41 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 284.72 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.906; 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 · AZM233