Molecule card · MolClass #92215

AZM203

AZM203: 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: 92215
InChIKey: WOCAUAGFAOCBHT-UHFFFAOYSA-N
Canonical SMILES: COc1cccc(c1)C(=O)NCCN2CCC(CC2)Oc3ccc(c(c3)Cl)Cl
Standard InChI: InChI=1S/C21H24Cl2N2O3/c1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18/h2-6,13-14,16H,7-12H2,1H3,(H,24,26)
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CCN[CH]c3ccccc3)CC2

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: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.8 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 423.334 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.709; 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 · AZM203