Molecule card · MolClass #92717

AZM734

AZM734: 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: 92717
InChIKey: FPGMKZRKIUKJOT-ADRQNKRLSA-N
Canonical SMILES: [H]C(C)(O)CNC(=O)C(c1ccccc1(F))N(C(=O)c2occc2(COC))c3ccc(cc3(OC))OC
Standard InChI: InChI=1S/C26H29FN2O7/c1-16(30)14-28-25(31)23(19-7-5-6-8-20(19)27)29(21-10-9-18(34-3)13-22(21)35-4)26(32)24-17(15-33-2)11-12-36-24/h5-13,16,23,30H,14-15H2,1-4H3,(H,28,31)/t16-,23?/m1/s1
Stored Murcko scaffold: o1cccc1[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.

AZM724#92707
AZM733#92716
AZM736#92719
Brc1ccccc1CN(C(=O)c1occc1)c1ccccc1Br#152191
COc1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1occc1#152236

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: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 110.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 500.517 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.987; 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 · AZM734