Molecule card · MolClass #92523

AZM527

AZM527: 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: 92523
InChIKey: GFYYWSNSKOTGCA-UHFFFAOYSA-N
Canonical SMILES: Cc1cc2cc(C)c3nnc(n3(c2(cc1(C))))SCC(=O)N4CCN(CC4)C(=O)c5ccco5
Standard InChI: InChI=1S/C24H25N5O3S/c1-15-11-18-12-17(3)22-25-26-24(29(22)19(18)13-16(15)2)33-14-21(30)27-6-8-28(9-7-27)23(31)20-5-4-10-32-20/h4-5,10-13H,6-9,14H2,1-3H3
Stored Murcko scaffold: n1nc2ccc3ccccc3n2c1SC[CH]N4CCN([CH]c5occc5)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.

AZM528#92524

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 109.25 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 463.554 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.88; 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 · AZM527