Molecule card · MolClass #92191

AZM178

AZM178: 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: 92191
InChIKey: IBZXBNSXCINDKB-UHFFFAOYSA-N
Canonical SMILES: CCCCCSc2nc(O)c1c(nc(N)s1)n2
Standard InChI: InChI=1S/C10H14N4OS2/c1-2-3-4-5-16-10-13-7-6(8(15)14-10)17-9(11)12-7/h2-5H2,1H3,(H3,11,12,13,14,15)
Stored Murcko scaffold: n1cnc2ncsc2c1

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 138.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 270.377 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.556; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM178