Molecule card · MolClass #92770

AZM789

AZM789: 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: 92770
InChIKey: MGZJKYTZNDZWJI-IBGZPJMESA-N
Canonical SMILES: [H]C1(CCCN(C1)C(C)C)CN2C(=O)c3cc(ccc3(N=C2(C(C)C)))c4ccc(F)cc4
Standard InChI: InChI=1S/C26H32FN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
Stored Murcko scaffold: N1=CN([CH]c2cc(ccc12)-c3ccccc3)CC4CNCCC4

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.

AZM788#92769

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 421.551 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.196; 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 · AZM789