Molecule card · MolClass #92945

AZM966

AZM966: 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: 92945
InChIKey: KMYFLSVOUWPLPL-UHFFFAOYSA-N
Canonical SMILES: OC(=O)CCCCCCc1ccc(cc1)Cc2ccc3ccccc3(n2)
Standard InChI: InChI=1S/C23H25NO2/c25-23(26)10-4-2-1-3-7-18-11-13-19(14-12-18)17-21-16-15-20-8-5-6-9-22(20)24-21/h5-6,8-9,11-16H,1-4,7,10,17H2,(H,25,26)
Stored Murcko scaffold: n1c2ccccc2ccc1Cc3ccccc3

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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.19 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 347.451 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.841; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM966