Molecule card · MolClass #92520

AZM523

AZM523: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92520
InChIKey: WJXFRKFRTLXOPO-MRVPVSSYSA-N
Canonical SMILES: [H]n2ncc1c(nc(nc12)SCc3cccc(F)c3(F))NC([H])(C)CO
Standard InChI: InChI=1S/C15H15F2N5OS/c1-8(6-23)19-13-10-5-18-22-14(10)21-15(20-13)24-7-9-3-2-4-11(16)12(9)17/h2-5,8,23H,6-7H2,1H3,(H2,18,19,20,21,22)/t8-/m1/s1
Stored Murcko scaffold: n1cc2cnc(nc2[nH]1)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.

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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 112.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 351.376 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.306; 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 · AZM523