Molecule card · MolClass #92099

AZM34

AZM34: 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: 92099
InChIKey: SVRHUWKSZKNYFQ-UHFFFAOYSA-N
Canonical SMILES: Cc3ccc(cc3(NC(=O)c1ccc(cc1)OCc2ccccn2))NC(=O)c4cccc(c4)N5CCOCC5
Standard InChI: InChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)
Stored Murcko scaffold: n1ccccc1COc2ccc(cc2)[CH]Nc3cccc(c3)N[CH]c4cccc(c4)N5CCOCC5

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.79 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 522.595 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.581; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM34