Molecule card · MolClass #92343

AZM341

AZM341: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92343
InChIKey: RUDKYCJFISENJV-UHFFFAOYSA-N
Canonical SMILES: Cc4c(CC(=O)O)c1cc(F)ccc1n4(Cc3nc2ccccc2s3)
Standard InChI: InChI=1S/C19H15FN2O2S/c1-11-13(9-19(23)24)14-8-12(20)6-7-16(14)22(11)10-18-21-15-4-2-3-5-17(15)25-18/h2-8H,9-10H2,1H3,(H,23,24)
Stored Murcko scaffold: n1c2ccccc2sc1Cn3ccc4ccccc43

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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 354.4 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.51; 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 · AZM341