Molecule card · MolClass #92610

AZM620

AZM620: 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: 92610
InChIKey: UFFMLXIMOZMLNJ-UHFFFAOYSA-N
Canonical SMILES: [H]n3c(CCc1cc(ccn1)OC)nc2c(C)ccnc23
Standard InChI: InChI=1S/C15H16N4O/c1-10-5-7-17-15-14(10)18-13(19-15)4-3-11-9-12(20-2)6-8-16-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
Stored Murcko scaffold: n1ccccc1CCc2nc3cccnc3[nH]2

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.

AZM609#92599
AZM619#92609

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 63.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 268.314 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.705; 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 · AZM620