Molecule card · MolClass #92655

AZM667

AZM667: 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: 92655
InChIKey: IQFOLMQRSFXDFG-UHFFFAOYSA-N
Canonical SMILES: CC=3Nc4nc(NCc1cccc(c1)Br)nn4(C(=O)C=3(Cc2ccccc2))
Standard InChI: InChI=1S/C20H18BrN5O/c1-13-17(11-14-6-3-2-4-7-14)18(27)26-20(23-13)24-19(25-26)22-12-15-8-5-9-16(21)10-15/h2-10H,11-12H2,1H3,(H2,22,23,24,25)
Stored Murcko scaffold: n1c(nn2[CH]C(=CNc12)Cc3ccccc3)NCc4ccccc4

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 71.84 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.294 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.586; 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 · AZM667