Molecule card · MolClass #92736

AZM754

AZM754: 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: 92736
InChIKey: OCPZAFIMVGSBSN-HUUCEWRRSA-N
Canonical SMILES: [H]C3(CCCCC3([H])(C(=O)N1CCN(CC1)c2nccs2))(C(=O)NC4(C#N)(CC4))
Standard InChI: InChI=1S/C19H25N5O2S/c20-13-19(5-6-19)22-16(25)14-3-1-2-4-15(14)17(26)23-8-10-24(11-9-23)18-21-7-12-27-18/h7,12,14-15H,1-6,8-11H2,(H,22,25)/t14-,15-/m1/s1
Stored Murcko scaffold: n1ccsc1N2CCN([CH]C3CCCCC3[CH]NC4CC4)CC2

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.

AZM753#92735
AZM763#92744

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 117.57 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 387.501 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.688; 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 · AZM754