Molecule card · MolClass #92484

AZM486

AZM486: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92484
InChIKey: MTYFDEYZRYWPAI-DNQXCXABSA-N
Canonical SMILES: [H]C(c1ccccc1)(N2CCCCC2)C([H])(c3ccccc3)N4CCCCC4
Standard InChI: InChI=1S/C24H32N2/c1-5-13-21(14-6-1)23(25-17-9-3-10-18-25)24(22-15-7-2-8-16-22)26-19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m1/s1
Stored Murcko scaffold: c1ccc(cc1)C(N2CCCCC2)C(c3ccccc3)N4CCCCC4

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: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 6.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 348.525 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.27; 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 · AZM486