Molecule card · MolClass #92311

AZM308

AZM308: 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: 92311
InChIKey: DIXSEWSBXAEKKY-OAHLLOKOSA-N
Canonical SMILES: [H]n4cc(C(=O)NCC([H])(O)CN1CCC(CC1)Oc2ccc(c(c2)Cl)Cl)c3ccccc34
Standard InChI: InChI=1S/C23H25Cl2N3O3/c24-20-6-5-17(11-21(20)25)31-16-7-9-28(10-8-16)14-15(29)12-27-23(30)19-13-26-22-4-2-1-3-18(19)22/h1-6,11,13,15-16,26,29H,7-10,12,14H2,(H,27,30)/t15-/m1/s1
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CCCN[CH]c3c[nH]c4ccccc34)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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 77.59 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 462.37 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.622; 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 · AZM308