Molecule card · MolClass #92394

AZM392

AZM392: 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: 92394
InChIKey: KUJWYGAYGZNEMX-QFMPWRQOSA-N
Canonical SMILES: CCON=C(c1ccc(cc1)Br)C2CCN(CC2)C3(C)(CCN(CC3)C(=O)c4c(cncc4Cl)Cl)
Standard InChI: InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+
Stored Murcko scaffold: n1ccc(cc1)[CH]N2CCC(N3CCC([CH]c4ccccc4)CC3)CC2

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 58.03 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 582.36 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.328; 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 · AZM392