Molecule card · MolClass #92293

AZM290

AZM290: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92293
InChIKey: QKNIXSWGUKMPBD-UHFFFAOYSA-N
Canonical SMILES: CCN(C(=O)Cc1ccc(cc1)S(C)(=O)=O)C2CCN(CC2)CCC(c3ccccc3)c4ccc(cc4)NC(=O)C(C)(C)C
Standard InChI: InChI=1S/C36H47N3O4S/c1-6-39(34(40)26-27-12-18-32(19-13-27)44(5,42)43)31-20-23-38(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)37-35(41)36(2,3)4/h7-19,31,33H,6,20-26H2,1-5H3,(H,37,41)
Stored Murcko scaffold: [N]([CH]Cc1ccccc1)C2CCN(CC2)CCC(c3ccccc3)c4ccccc4

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.

AZM83#92119
AZM84#92120
AZM97#92127
AZM114#92138
AZM117#92141
AZM128#92149
AZM142#92162
AZM154#92172
AZM155#92173
AZM158#92176
AZM292#92295
AZM296#92299
AZM297#92300
AZM299#92302
AZM300#92303
AZM318#92321
AZM423#92424
AZM454#92454
AZM461#92461

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 14; CDK 2.12 · 2026-08-19
Topological polar surface area: 95.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 617.844 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.438; 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 · AZM290