Molecule card · MolClass #92219

AZM207

AZM207: 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: 92219
InChIKey: KPHPMNHOOYVICO-UHFFFAOYSA-N
Canonical SMILES: [H]n2nc(N)c(Cc1ccc(cc1)OC)c2(N)
Standard InChI: InChI=1S/C11H14N4O/c1-16-8-4-2-7(3-5-8)6-9-10(12)14-15-11(9)13/h2-5H,6H2,1H3,(H5,12,13,14,15)
Stored Murcko scaffold: n1cc(c[nH]1)Cc2ccccc2

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.

ZINC08730063#23643
14741694#32138
14723017#41257
14741694#41325
851056#41403
24823459#43963

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 89.95 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 218.255 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.6; 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 · AZM207