Molecule card · MolClass #92129

AZM99

AZM99: 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: 92129
InChIKey: AZFVZMKCOBJRAW-UHFFFAOYSA-N
Canonical SMILES: NC(=O)Nc2cc(c1ccsc1)sc2(C(N)=O)
Standard InChI: InChI=1S/C10H9N3O2S2/c11-9(14)8-6(13-10(12)15)3-7(17-8)5-1-2-16-4-5/h1-4H,(H2,11,14)(H3,12,13,15)
Stored Murcko scaffold: s1ccc(c1)-c2sccc2

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.

ZINC00096409#23678
14743063#51456

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 154.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 267.33 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.021; 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 · AZM99