Molecule card · MolClass #92296

AZM293

AZM293: 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: 92296
InChIKey: OVDHWXOTDVDEFA-UHFFFAOYSA-N
Canonical SMILES: CN(CCOc1ccccc1c2cc(C(N)=O)c(NC(N)=O)s2)Cc3ccccc3
Standard InChI: InChI=1S/C22H24N4O3S/c1-26(14-15-7-3-2-4-8-15)11-12-29-18-10-6-5-9-16(18)19-13-17(20(23)27)21(30-19)25-22(24)28/h2-10,13H,11-12,14H2,1H3,(H2,23,27)(H3,24,25,28)
Stored Murcko scaffold: O(c1ccccc1-c2sccc2)CCNCc3ccccc3

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 138.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.518 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.104; 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 · AZM293