Molecule card · MolClass #92613

AZM623

AZM623: 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: 92613
InChIKey: BZUIGXZUUGQBLL-UHFFFAOYSA-N
Canonical SMILES: [H]n3nc(OCCN1CCN(C)CC1)c2c(ncnc23)Nc5ccc(OCc4ccccn4)c(c5)Cl
Standard InChI: InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31)
Stored Murcko scaffold: n1cnc(Nc2ccc(OCc3ncccc3)cc2)c4c(n[nH]c14)OCCN5CCNCC5

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 494.977 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.343; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM623