Molecule card · MolClass #92904

AZM925

AZM925: 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: 92904
InChIKey: ASROBFZJWMKUSD-SFHVURJKSA-N
Canonical SMILES: [H]C(C)(NC(=O)c3c(C)nn(C1CCN(CC1)CC(F)(F)F)c3(NS(=O)(=O)c2ccc(C)cc2))C(C)(C)C
Standard InChI: InChI=1S/C25H36F3N5O3S/c1-16-7-9-20(10-8-16)37(35,36)31-22-21(23(34)29-18(3)24(4,5)6)17(2)30-33(22)19-11-13-32(14-12-19)15-25(26,27)28/h7-10,18-19,31H,11-15H2,1-6H3,(H,29,34)/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.

AZM926#92905

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: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.71 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 543.647 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.906; 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 · AZM925