Molecule card · MolClass #92195

AZM182

AZM182: 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: 92195
InChIKey: AEWQIKDEAWAPPV-UHFFFAOYSA-N
Canonical SMILES: OC(=O)COc1cccc(c1)C(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(c(c4)Cl)Cl
Standard InChI: InChI=1S/C25H28Cl2N2O5/c26-22-5-4-21(15-23(22)27)34-19-8-12-28(13-9-19)18-6-10-29(11-7-18)25(32)17-2-1-3-20(14-17)33-16-24(30)31/h1-5,14-15,18-19H,6-13,16H2,(H,30,31)
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.

AZM183#92196
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: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.31 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 507.407 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.776; 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 · AZM182