Molecule card · MolClass #92658

AZM670

AZM670: 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: 92658
InChIKey: BIBCEJXKTMYFRC-UHFFFAOYSA-N
Canonical SMILES: OC(=O)C1CCN(CC1)c4ncccc4(c2ccc(c(c2)C(=O)NCC3CCCCCC3)Cl)
Standard InChI: InChI=1S/C26H32ClN3O3/c27-23-10-9-20(16-22(23)25(31)29-17-18-6-3-1-2-4-7-18)21-8-5-13-28-24(21)30-14-11-19(12-15-30)26(32)33/h5,8-10,13,16,18-19H,1-4,6-7,11-12,14-15,17H2,(H,29,31)(H,32,33)
Stored Murcko scaffold: n1cccc(-c2cccc([CH]NCC3CCCCCC3)c2)c1N4CCCCC4

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 82.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 470.004 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.724; 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 · AZM670