Molecule card · MolClass #92221

AZM209

AZM209: 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: 92221
InChIKey: LHQVVDIEPGMAMY-UHFFFAOYSA-N
Canonical SMILES: OCCCNCCCOc1ccc(c(c1)C(=O)NCC34(CC2CC(CC(C2)C3)C4))Cl
Standard InChI: InChI=1S/C24H35ClN2O3/c25-22-4-3-20(30-8-2-6-26-5-1-7-28)12-21(22)23(29)27-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19,26,28H,1-2,5-11,13-16H2,(H,27,29)
Stored Murcko scaffold: c1ccc(cc1)[CH]NCC23CC4CC(CC(C4)C2)C3

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.

1479025#13629
0832-2785#24602
14735056#51595
AZM224#92234
AZM231#92241
AZM474#92473

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 12; CDK 2.12 · 2026-08-19
Topological polar surface area: 70.59 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 435 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.269; 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 · AZM209