Molecule card · MolClass #92905

AZM926

AZM926: 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: 92905
InChIKey: GXDQNCBLCCWUMQ-SFHVURJKSA-N
Canonical SMILES: [H]C(C)(NC(=O)c3c(C)nn(C1CCN(C)CC1)c3(NS(=O)(=O)c2ccc(C)cc2))C(C)(C)C
Standard InChI: InChI=1S/C24H37N5O3S/c1-16-8-10-20(11-9-16)33(31,32)27-22-21(23(30)25-18(3)24(4,5)6)17(2)26-29(22)19-12-14-28(7)15-13-19/h8-11,18-19,27H,12-15H2,1-7H3,(H,25,30)/t18-/m0/s1
Stored Murcko scaffold: n1ccc(NSc2ccccc2)n1C3CCNCC3

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.

AZM925#92904

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: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.71 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 475.649 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.481; 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 · AZM926