Molecule card · MolClass #92611

AZM621

AZM621: 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: 92611
InChIKey: VLRDLNVGQBSZFM-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCNc2cc(nc1ccccc12)c3ccc(cc3)N4CCN(C)CC4
Standard InChI: InChI=1S/C24H31N5/c1-27(2)13-12-25-24-18-23(26-22-7-5-4-6-21(22)24)19-8-10-20(11-9-19)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26)
Stored Murcko scaffold: n1c2ccccc2ccc1-c3ccc(cc3)N4CCNCC4

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.

24821749#49139

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; 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: 34.64 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 389.537 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.625; 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 · AZM621