Molecule card · MolClass #92324

AZM321

AZM321: 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: 92324
InChIKey: OUZKJGOSIGMDHS-UHFFFAOYSA-N
Canonical SMILES: COc2nc(c(nc2(NS(=O)(=O)c1ccc(Cl)s1))Cl)Cl
Standard InChI: InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15)
Stored Murcko scaffold: n1ccnc(c1)NSc2sccc2

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.

AZM367#92369

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 117.8 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 374.654 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.313; 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 · AZM321