Molecule card · MolClass #92326

AZM323

AZM323: 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: 92326
InChIKey: LWUQARMOMBUJSG-UHFFFAOYSA-N
Canonical SMILES: CC(C)N4C(=O)N(C)C(=O)c3c(C(=O)N1CCS(=O)(=O)C1)c(Cc2ccccc2C(F)(F)F)sc34
Standard InChI: InChI=1S/C22H22F3N3O5S2/c1-12(2)28-20-17(18(29)26(3)21(28)31)16(19(30)27-8-9-35(32,33)11-27)15(34-20)10-13-6-4-5-7-14(13)22(23,24)25/h4-7,12H,8-11H2,1-3H3
Stored Murcko scaffold: n1cnc2sc(c([CH]N3CSCC3)c2c1)Cc4ccccc4

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: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 131.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 529.555 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.26; 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 · AZM323