Molecule card · MolClass #92279

AZM275

AZM275: 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: 92279
InChIKey: XQAMTRGICPPPJO-UHFFFAOYSA-N
Canonical SMILES: CN(CCc1ccc(O)c2nc(O)sc12)CCN(C)C(=O)CCOCCc3ccccc3
Standard InChI: InChI=1S/C24H31N3O4S/c1-26(13-10-19-8-9-20(28)22-23(19)32-24(30)25-22)14-15-27(2)21(29)12-17-31-16-11-18-6-4-3-5-7-18/h3-9,28H,10-17H2,1-2H3,(H,25,30)
Stored Murcko scaffold: n1csc2c1cccc2CCNCC[N][CH]CCOCCc3ccccc3

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.

AZM279#92283

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 114.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 457.588 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.178; 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 · AZM275