Molecule card · MolClass #92519

AZM522

AZM522: 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: 92519
InChIKey: OLZPSAROTDJSNV-UHFFFAOYSA-N
Canonical SMILES: [H]n2c(C)c(C)c1cc(ccc12)c3nnc(o3)SCC(=O)N5CCCc4ccccc45
Standard InChI: InChI=1S/C23H22N4O2S/c1-14-15(2)24-19-10-9-17(12-18(14)19)22-25-26-23(29-22)30-13-21(28)27-11-5-7-16-6-3-4-8-20(16)27/h3-4,6,8-10,12,24H,5,7,11,13H2,1-2H3
Stored Murcko scaffold: n1nc(oc1SC[CH]N2c3ccccc3CCC2)-c4ccc5[nH]ccc5c4

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 100.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 418.513 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.033; 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 · AZM522