Molecule card · MolClass #92683

AZM699

AZM699: 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: 92683
InChIKey: YOEOOUFATDSPPW-BPNWFJGMSA-N
Canonical SMILES: [H]C(C)(O)CNC(=O)C(c1ccccc1(F))N(C(=O)c2ccccc2)c3ccc(cc3(OC))OC
Standard InChI: InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1
Stored Murcko scaffold: c1ccc(cc1)[CH]N(c2ccccc2)Cc3ccccc3

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 11; CDK 2.12 · 2026-08-19
Topological polar surface area: 88.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 466.502 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.624; 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 · AZM699