Molecule card · MolClass #92157

AZM136

AZM136: 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: 92157
InChIKey: ZEZQMOYXCIVDNR-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C3=CN(Cc1ccccc1)C(=O)N(Cc2ccc(F)cc2)C3(=O)
Standard InChI: InChI=1S/C20H17FN2O3/c1-14(24)18-13-22(11-15-5-3-2-4-6-15)20(26)23(19(18)25)12-16-7-9-17(21)10-8-16/h2-10,13H,11-12H2,1H3
Stored Murcko scaffold: c1ccc(cc1)CN2C=C[CH]N([CH]2)Cc3ccccc3

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: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 352.36 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.785; 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 · AZM136