Molecule card · MolClass #92748

AZM767

AZM767: 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: 92748
InChIKey: KIMQVFJKYTXAFU-VIFPVBQESA-N
Canonical SMILES: [H]n1nc(cc1(C))Nc2cncc(n2)NC([H])(C)c3ncc(F)cn3
Standard InChI: InChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1
Stored Murcko scaffold: n1cc(nc(c1)NCc2ncccn2)Nc3n[nH]cc3

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 314.321 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.356; 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 · AZM767