Molecule card · MolClass #92699

AZM715

AZM715: 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: 92699
InChIKey: HEDQLFZYHLYQGI-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)CN(c1ccccc1(C))S(=O)(=O)c2ccc(cc2)Cl
Standard InChI: InChI=1S/C17H18ClNO4S/c1-3-23-17(20)12-19(16-7-5-4-6-13(16)2)24(21,22)15-10-8-14(18)9-11-15/h4-11H,3,12H2,1-2H3
Stored Murcko scaffold: S(Nc1ccccc1)c2ccccc2

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.

2696970#10342
3622988#12199
1915158#12675
1915521#12759
1915573#12764
1919941#13411
1922907#13681
1014409#17281
299#18813
338#18851
2001#20472
2228#20683
2235#20690
3193#21610
3819#22192
4156#22513
4166#22520
4373#22722
4790#23118
0917-0078#24888

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 72.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 367.849 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.252; 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 · AZM715