Molecule card · MolClass #92660

AZM674

AZM674: 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: 92660
InChIKey: KUUCRERQLRLCSS-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(c(c1)OC)N(C(=O)c2ccccc2)C(C(=O)NC3CCCC3)c4ccccc4(F)
Standard InChI: InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
Stored Murcko scaffold: c1ccc(cc1)[CH]N(c2ccccc2)C([CH]NC3CCCC3)c4ccccc4

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 67.87 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 476.54 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.132; 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 · AZM674