Molecule card · MolClass #92257

AZM249

AZM249: 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: 92257
InChIKey: UTWPAZWEWWLNMF-UHFFFAOYSA-N
Canonical SMILES: NS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3ccccc3
Standard InChI: InChI=1S/C16H14N4O2S/c17-23(21,22)14-8-6-13(7-9-14)19-16-18-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)(H,18,19,20)
Stored Murcko scaffold: n1ccc(nc1Nc2ccccc2)-c3ccccc3

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 106.35 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 326.375 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.157; 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 · AZM249