Molecule card · MolClass #92244

AZM235

AZM235: 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: 92244
InChIKey: SFLIILJRMUOVNE-UHFFFAOYSA-N
Canonical SMILES: Nc2nc1nc(nc(O)c1s2)SCc3cccc(F)c3(F)
Standard InChI: InChI=1S/C12H8F2N4OS2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9-8(10(19)18-12)21-11(15)16-9/h1-3H,4H2,(H3,15,16,17,18,19)
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
AZM223#92233
AZM355#92357
AZM393#92395

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 138.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 326.348 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.469; 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 · AZM235