Molecule card · MolClass #92358

AZM356

AZM356: 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: 92358
InChIKey: DGOSBQFZHGXKLM-UHFFFAOYSA-N
Canonical SMILES: Cc5ccc1nc(CCNCCCO)ccc1c5(NC(=O)CC34(CC2CC(CC(C2)C3)C4))
Standard InChI: InChI=1S/C27H37N3O2/c1-18-3-6-24-23(5-4-22(29-24)7-9-28-8-2-10-31)26(18)30-25(32)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21,28,31H,2,7-17H2,1H3,(H,30,32)
Stored Murcko scaffold: n1cccc2c1cccc2N[CH]CC34CC5CC(CC(C5)C3)C4

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: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.25 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 435.603 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.16; 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 · AZM356