Molecule card · MolClass #92900

AZM921

AZM921: 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: 92900
InChIKey: RFWSNJBXMGANOQ-KRWDZBQOSA-N
Canonical SMILES: [H]C(C)(NC(=O)c4c(C)nn(C1CCOCC1)c4(NS(=O)(=O)c2ccc(cc2)C3CC3))C(C)(C)C
Standard InChI: InChI=1S/C25H36N4O4S/c1-16-22(24(30)26-17(2)25(3,4)5)23(29(27-16)20-12-14-33-15-13-20)28-34(31,32)21-10-8-19(9-11-21)18-6-7-18/h8-11,17-18,20,28H,6-7,12-15H2,1-5H3,(H,26,30)/t17-/m0/s1
Stored Murcko scaffold: n1ccc(NSc2ccc(cc2)C3CC3)n1C4CCOCC4

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 110.7 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 488.645 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.066; 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 · AZM921