Molecule card · MolClass #92233

AZM223

AZM223: 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: 92233
InChIKey: UTDWJMBRBOKFJV-UHFFFAOYSA-N
Canonical SMILES: CC(C)(CO)Nc2nc(nc1nc(N)sc12)SCc3cccc(F)c3(F)
Standard InChI: InChI=1S/C16H17F2N5OS2/c1-16(2,7-24)23-13-11-12(20-14(19)26-11)21-15(22-13)25-6-8-4-3-5-9(17)10(8)18/h3-5,24H,6-7H2,1-2H3,(H3,19,20,21,22,23)
Stored Murcko scaffold: n1csc2cnc(nc12)SCc3ccccc3

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.

AZM18#92092
AZM19#92093
AZM218#92228
AZM235#92244
AZM355#92357
AZM393#92395

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 150.49 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 397.469 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.689; 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 · AZM223