Molecule card · MolClass #92313

AZM310

AZM310: 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: 92313
InChIKey: DCPIUFZZSDRFTC-AJZOCDQUSA-N
Canonical SMILES: [H]C3(CN1CCC(CC1)Oc2ccc(c(c2)Cl)Cl)(CN(CCO3)C(C(O)=O)c4ccccc4)
Standard InChI: InChI=1S/C24H28Cl2N2O4/c25-21-7-6-19(14-22(21)26)32-18-8-10-27(11-9-18)15-20-16-28(12-13-31-20)23(24(29)30)17-4-2-1-3-5-17/h1-7,14,18,20,23H,8-13,15-16H2,(H,29,30)/t20-,23?/m0/s1
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)CC3OCCN(Cc4ccccc4)C3

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: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 62.24 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 479.397 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.858; 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 · AZM310