Molecule card · MolClass #92217

AZM205

AZM205: 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: 92217
InChIKey: ULQNKQVYRQIHGV-UHFFFAOYSA-N
Canonical SMILES: O=C(NCC23(CC1CC(CC(C1)C2)C3))c5ccnc(NCC4CCNCC4)c5Cl
Standard InChI: InChI=1S/C23H33ClN4O/c24-20-19(3-6-26-21(20)27-13-15-1-4-25-5-2-15)22(29)28-14-23-10-16-7-17(11-23)9-18(8-16)12-23/h3,6,15-18,25H,1-2,4-5,7-14H2,(H,26,27)(H,28,29)
Stored Murcko scaffold: n1ccc([CH]NCC23CC4CC(CC(C4)C2)C3)cc1NCC5CCNCC5

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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.05 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 416.988 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.207; 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 · AZM205