Molecule card · MolClass #92533

AZM537

AZM537: 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: 92533
InChIKey: ASYUPMRGDBGEFR-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)CNC(=O)C2CCCN2S(=O)(=O)c3ccc(F)cc3
Standard InChI: InChI=1S/C19H21FN2O3S/c1-14-4-6-15(7-5-14)13-21-19(23)18-3-2-12-22(18)26(24,25)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
Stored Murcko scaffold: S(c1ccccc1)N2CCCC2[CH]NCc3ccccc3

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 376.447 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.199; 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 · AZM537