Molecule card · MolClass #92564

AZM570

AZM570: 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: 92564
InChIKey: UVPKNLYZFYMWGO-UHFFFAOYSA-N
Canonical SMILES: OC(=O)COc1ccc(cc1c3ccccc3(c2ccccc2))C(F)(F)F
Standard InChI: InChI=1S/C21H15F3O3/c22-21(23,24)15-10-11-19(27-13-20(25)26)18(12-15)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26)
Stored Murcko scaffold: c1ccc(cc1)-c2ccccc2-c3ccccc3

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.

84-15-1#4794

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 372.338 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.124; 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 · AZM570