Molecule card · MolClass #92218

AZM206

AZM206: 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: 92218
InChIKey: OEBYBEDUCVHKBU-UHFFFAOYSA-N
Canonical SMILES: O=C(NCC23(CC1CC(CC(C1)C2)C3))c4cc(ccc4Cl)OC5CCNCC5
Standard InChI: InChI=1S/C23H31ClN2O2/c24-21-2-1-19(28-18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
Stored Murcko scaffold: O(c1cccc([CH]NCC23CC4CC(CC(C4)C2)C3)c1)C5CCNCC5

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 402.958 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.805; 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 · AZM206