Molecule card · MolClass #92723

AZM741

AZM741: 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: 92723
InChIKey: NYWJZLOBZHVZMI-QFIPXVFZSA-N
Canonical SMILES: [H]C(O)(CNCCc1ccc(cc1)CNCc2ccccc2(OC))c3ccc(O)c4NC(=O)Sc34
Standard InChI: InChI=1S/C26H29N3O4S/c1-33-23-5-3-2-4-19(23)15-28-14-18-8-6-17(7-9-18)12-13-27-16-22(31)20-10-11-21(30)24-25(20)34-26(32)29-24/h2-11,22,27-28,30-31H,12-16H2,1H3,(H,29,32)/t22-/m0/s1
Stored Murcko scaffold: S1[CH]Nc2cccc(c12)CCNCCc3ccc(cc3)CNCc4ccccc4

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 5; CDK 2.12 · 2026-08-19
Rotatable bonds: 11; CDK 2.12 · 2026-08-19
Topological polar surface area: 128.15 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 479.593 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.157; 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 · AZM741