Molecule card · MolClass #92517

AZM520

AZM520: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92517
InChIKey: LUPHOOKVGNVAFT-UHFFFAOYSA-N
Canonical SMILES: [H]n5c6ccc(cc6(nc5(c1ccc(cc1)NC(=O)C34(CC2CC(CC(C2)C3)C4))))C(=O)Nc7ccccn7
Standard InChI: InChI=1S/C30H29N5O2/c36-28(35-26-3-1-2-10-31-26)22-6-9-24-25(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,31,35,36)
Stored Murcko scaffold: n1ccccc1N[CH]c2ccc3[nH]c(nc3c2)-c4ccc(cc4)N[CH]C56CC7CC(CC(C7)C5)C6

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 99.77 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 491.585 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.929; 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 · AZM520