Molecule card · MolClass #92911

AZM932

AZM932: 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: 92911
InChIKey: GFLUBJYGGPWVEV-FPOVZHCZSA-N
Canonical SMILES: [H]C(O)(c1cc(C)on1)C(C)(OCc2ccc(cc2)c3ccccc3)C(=O)NO
Standard InChI: InChI=1S/C21H22N2O5/c1-14-12-18(23-28-14)19(24)21(2,20(25)22-26)27-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12,19,24,26H,13H2,1-2H3,(H,22,25)/t19-,21-/m0/s1
Stored Murcko scaffold: n1occc1CCOCc2ccc(cc2)-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.

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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.82 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 382.411 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.634; 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 · AZM932