Molecule card · MolClass #92155

AZM134

AZM134: 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: 92155
InChIKey: BDOCKYQXIODYML-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)Cl
Standard InChI: InChI=1S/C10H9ClN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
Stored Murcko scaffold: n1occc1NSc2ccccc2

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.

Sulfamethoxazole#1518
1235323#13176

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 80.58 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 272.709 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.62; 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 · AZM134