Molecule card · MolClass #92258

AZM250

AZM250: 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: 92258
InChIKey: UNWOUPDGMHAFDA-UHFFFAOYSA-N
Canonical SMILES: O=C(CN3c1ccccc1N2CCN=C23)c4ccc(cc4)Cl
Standard InChI: InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21/h1-8H,9-11H2
Stored Murcko scaffold: N1=C2N(c3ccccc3N2CC1)C[CH]c4ccccc4

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.

1947281#16583
Fc1ccc(cc1)C(=O)CN1c2ccccc2N2CCN=C21#151348

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 311.766 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.331; 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 · AZM250