Molecule card · MolClass #92255

AZM247

AZM247: 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: 92255
InChIKey: AQKVGRZIJQKDMY-UHFFFAOYSA-N
Canonical SMILES: [H]n4nc2cccc(Oc1ccc(F)cc1)c2c4(NCc3ccc(cc3)NC(C)=O)
Standard InChI: InChI=1S/C22H19FN4O2/c1-14(28)25-17-9-5-15(6-10-17)13-24-22-21-19(26-27-22)3-2-4-20(21)29-18-11-7-16(23)8-12-18/h2-12H,13H2,1H3,(H,25,28)(H2,24,26,27)
Stored Murcko scaffold: n1[nH]c(NCc2ccccc2)c3c1cccc3Oc4ccccc4

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.

AZM184#92197
AZM185#92198
AZM246#92254

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.04 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 390.411 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.204; 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 · AZM247