Molecule card · MolClass #92323

AZM320

AZM320: 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: 92323
InChIKey: MAAOWWNLDLETQH-UHFFFAOYSA-N
Canonical SMILES: CS(=O)(=O)Nc3ccc(CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12)cc3
Standard InChI: InChI=1S/C23H31N3O7S3/c1-35(29,30)26-19-6-3-17(4-7-19)10-14-33-13-2-15-36(31,32)16-12-24-11-9-18-5-8-20(27)21-22(18)34-23(28)25-21/h3-8,24,26-27H,2,9-16H2,1H3,(H,25,28)
Stored Murcko scaffold: n1csc2c1cccc2CCNCCSCCCOCCc3ccccc3

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.

AZM196#92209
AZM274#92278

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 10; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 4; CDK 2.12 · 2026-08-19
Rotatable bonds: 15; CDK 2.12 · 2026-08-19
Topological polar surface area: 199.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 557.707 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.815; 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 · AZM320