Molecule card · MolClass #92746

AZM765

AZM765: 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: 92746
InChIKey: HHCLGERVDPIQQT-ZDUSSCGKSA-N
Canonical SMILES: [H]n1nc(cc1(OC))Nc2nc3c(cc2(F))ncn3C([H])(CO)c4ccc(F)cn4
Standard InChI: InChI=1S/C17H15F2N7O2/c1-28-15-5-14(24-25-15)22-16-10(19)4-12-17(23-16)26(8-21-12)13(7-27)11-3-2-9(18)6-20-11/h2-6,8,13,27H,7H2,1H3,(H2,22,23,24,25)/t13-/m0/s1
Stored Murcko scaffold: n1ccccc1Cn2cnc3ccc(nc32)Nc4n[nH]cc4

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 113.77 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 387.344 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.802; 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 · AZM765