Molecule card · MolClass #93047

AZM1069

AZM1069: 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: 93047
InChIKey: SSYOHVGNVICOMU-UHFFFAOYSA-N
Canonical SMILES: Cc1noc(C)c1c2ccc(cc2)CNS(=O)(=O)c3c(C)noc3(C)
Standard InChI: InChI=1S/C17H19N3O4S/c1-10-16(12(3)23-19-10)15-7-5-14(6-8-15)9-18-25(21,22)17-11(2)20-24-13(17)4/h5-8,18H,9H2,1-4H3
Stored Murcko scaffold: n1occ(SNCc2ccc(cc2)-c3cnoc3)c1

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 106.61 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 361.417 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.672; 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 · AZM1069