Molecule card · MolClass #92275

AZM271

AZM271: 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: 92275
InChIKey: OQWCBXXCRWMVOB-UHFFFAOYSA-N
Canonical SMILES: Oc4ccc(CCNCCCSCCOCCc2cccc1ccccc12)c3c4(nc(O)s3)
Standard InChI: InChI=1S/C26H30N2O3S2/c29-23-10-9-21(25-24(23)28-26(30)33-25)11-14-27-13-4-17-32-18-16-31-15-12-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,27,29H,4,11-18H2,(H,28,30)
Stored Murcko scaffold: n1csc2c1cccc2CCNCCCSCCOCCc3cccc4ccccc43

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 128.15 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 482.661 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.062; 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 · AZM271