Molecule card · MolClass #92504

AZM507

AZM507: 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: 92504
InChIKey: RGLMTNLVFGMAHA-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc2c(n1)c(c(C)n2(CC(=O)O))Sc3ccc(cc3)Cl
Standard InChI: InChI=1S/C17H15ClN2O2S/c1-10-3-8-14-16(19-10)17(11(2)20(14)9-15(21)22)23-13-6-4-12(18)5-7-13/h3-8H,9H2,1-2H3,(H,21,22)
Stored Murcko scaffold: n1cccc2[nH]cc(Sc3ccccc3)c12

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: 80.42 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 346.833 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.021; 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 · AZM507