Molecule card · MolClass #92364

AZM362

AZM362: 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: 92364
InChIKey: DMQWGZFKPDYZCH-UHFFFAOYSA-N
Canonical SMILES: OC(=O)c4ccccc4(CN1CCC(CC1)CN2CCC(CC2)Oc3ccc(c(c3)Cl)Cl)
Standard InChI: InChI=1S/C25H30Cl2N2O3/c26-23-6-5-21(15-24(23)27)32-20-9-13-28(14-10-20)16-18-7-11-29(12-8-18)17-19-3-1-2-4-22(19)25(30)31/h1-6,15,18,20H,7-14,16-17H2,(H,30,31)
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)CC3CCN(Cc4ccccc4)CC3

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.

AZM307#92310
AZM396#92398
AZM400#92402
AZM490#92488

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 53.01 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 477.424 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.493; 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 · AZM362