Molecule card · MolClass #92207

AZM194

AZM194: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92207
InChIKey: SDPQHMHFTWVGGO-UHFFFAOYSA-N
Canonical SMILES: O=C(NS(=O)(=O)N1CCC(CC1)N2CCC(CC2)Oc3ccc(c(c3)Cl)Cl)c4ccccc4
Standard InChI: InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-20(16-22(21)25)32-19-10-12-27(13-11-19)18-8-14-28(15-9-18)33(30,31)26-23(29)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2,(H,26,29)
Stored Murcko scaffold: O(c1ccccc1)C2CCN(CC2)C3CCN(SN[CH]c4ccccc4)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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; 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: 87.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 512.451 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.498; 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 · AZM194