Molecule card · MolClass #92676

AZM690

AZM690: 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: 92676
InChIKey: XYAZHOGSJDVHKT-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(c(c1)OC)N(C(C)=O)C(C(=O)NC2CCCC2)c3ccccc3(F)
Standard InChI: InChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28)
Stored Murcko scaffold: [N](c1ccccc1)C([CH]NC2CCCC2)c3ccccc3

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: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 67.87 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 414.471 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.415; 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 · AZM690