Molecule card · MolClass #92196

AZM183

AZM183: 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: 92196
InChIKey: ATPAZLJUTRYFNR-UHFFFAOYSA-N
Canonical SMILES: Cc4c(ccc(OC1CCN(CC1)C2CCN(CC2)C(=O)c3cccc(c3)S(C)(=O)=O)c4Cl)Cl
Standard InChI: InChI=1S/C25H30Cl2N2O4S/c1-17-22(26)6-7-23(24(17)27)33-20-10-14-28(15-11-20)19-8-12-29(13-9-19)25(30)18-4-3-5-21(16-18)34(2,31)32/h3-7,16,19-20H,8-15H2,1-2H3
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)C3CCN([CH]c4ccccc4)CC3

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.

AZM182#92195
AZM193#92206
AZM316#92319

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 75.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 525.49 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.226; 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 · AZM183