Molecule card · MolClass #92318

AZM315

AZM315: 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: 92318
InChIKey: FLDDBSYUKQDTDX-UHFFFAOYSA-N
Canonical SMILES: OC(=O)C(c1ccccc1)N4CCCC(CN2CCC(CC2)Oc3ccc(c(c3)Cl)Cl)C4
Standard InChI: InChI=1S/C25H30Cl2N2O3/c26-22-9-8-21(15-23(22)27)32-20-10-13-28(14-11-20)16-18-5-4-12-29(17-18)24(25(30)31)19-6-2-1-3-7-19/h1-3,6-9,15,18,20,24H,4-5,10-14,16-17H2,(H,30,31)
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)CC3CN(Cc4ccccc4)CCC3

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: 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: 2.959; 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 · AZM315