Molecule card · MolClass #92719

AZM736

AZM736: 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: 92719
InChIKey: YGOWOHYBSPRLKX-JGHKVMFLSA-N
Canonical SMILES: [H]C(C)(O)CNC(=O)C(c1ccccc1(F))N(C(=O)c2occc2(CO))c3ccc(cc3(OC))OC
Standard InChI: InChI=1S/C25H27FN2O7/c1-15(30)13-27-24(31)22(18-6-4-5-7-19(18)26)28(25(32)23-16(14-29)10-11-35-23)20-9-8-17(33-2)12-21(20)34-3/h4-12,15,22,29-30H,13-14H2,1-3H3,(H,27,31)/t15-,22?/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
AZM734#92717
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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 12; CDK 2.12 · 2026-08-19
Topological polar surface area: 121.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 486.49 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.468; 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 · AZM736