Molecule card · MolClass #92241

AZM231

AZM231: 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: 92241
InChIKey: OOZYHAYVTFPQGA-UHFFFAOYSA-N
Canonical SMILES: Nc1ccc(c(c1)C(=O)NCC34(CC2CC(CC(C2)C3)C4))Cl
Standard InChI: InChI=1S/C18H23ClN2O/c19-16-2-1-14(20)6-15(16)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10,20H2,(H,21,22)
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
AZM209#92221
AZM224#92234
AZM474#92473

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 55.12 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 318.842 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.916; 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 · AZM231