Molecule card · MolClass #92624

AZM634

AZM634: 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: 92624
InChIKey: JBBOMVFXXYZQQP-UHFFFAOYSA-N
Canonical SMILES: OC(=O)COc3ccc(cc3(CN1CCN(CC1)S(=O)(=O)Cc2ccccc2))Cl
Standard InChI: InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)
Stored Murcko scaffold: S(N1CCN(Cc2ccccc2)CC1)Cc3ccccc3

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.

AZM689#92675

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 95.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 438.927 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.374; 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 · AZM634