Molecule card · MolClass #92163

AZM143

AZM143: 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: 92163
InChIKey: TWVXDJSEKDRXKV-UHFFFAOYSA-N
Canonical SMILES: COc3cc4ncnc(Nc1cc2ccccc2(cn1))c4(cc3(OC))
Standard InChI: InChI=1S/C19H16N4O2/c1-24-16-8-14-15(9-17(16)25-2)21-11-22-19(14)23-18-7-12-5-3-4-6-13(12)10-20-18/h3-11H,1-2H3,(H,20,21,22,23)
Stored Murcko scaffold: n1cnc(Nc2ncc3ccccc3c2)c4ccccc14

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 69.16 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 332.357 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.328; 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 · AZM143