Molecule card · MolClass #92371

AZM369

AZM369: 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: 92371
InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N
Canonical SMILES: [H]n1nnc(n1)c5ccccc5(c2ccc(cc2)CN4C(CCCC)=NC3(CCCC3)C4(=O))
Standard InChI: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
Stored Murcko scaffold: n1nc(n[nH]1)-c2ccccc2-c3ccc(cc3)CN4C=NC5([CH]4)CCCC5

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.

103558443#25218
49681744#26302
26719813#43332

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 87.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 428.53 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.062; 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 · AZM369