Molecule card · MolClass #92107

AZM63

AZM63: 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: 92107
InChIKey: LYLQJTSHZYGWBO-UHFFFAOYSA-N
Canonical SMILES: [H]n3c(NC(=O)c1ccccc1)nc2ccccc23
Standard InChI: InChI=1S/C14H11N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-9H,(H2,15,16,17,18)
Stored Murcko scaffold: n1c2ccccc2[nH]c1N[CH]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.

1373932#12854
1917492#13016
AZM976#92955

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.78 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 237.257 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.209; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM63