Molecule card · MolClass #92208

AZM195

AZM195: 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: 92208
InChIKey: QAXGZLPJWOSHHV-UHFFFAOYSA-N
Canonical SMILES: O=C1NC(=NO1)c2ccc(cc2)C(=O)N3CCC(CC3)N4CCC(CC4)Oc5ccc(c(c5)Cl)Cl
Standard InChI: InChI=1S/C25H26Cl2N4O4/c26-21-6-5-20(15-22(21)27)34-19-9-13-30(14-10-19)18-7-11-31(12-8-18)24(32)17-3-1-16(2-4-17)23-28-25(33)35-29-23/h1-6,15,18-19H,7-14H2,(H,28,29,33)
Stored Murcko scaffold: N=1O[CH]NC1c2ccc(cc2)[CH]N3CCC(N4CCC(Oc5ccccc5)CC4)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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 517.405 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.392; 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 · AZM195