Molecule card · MolClass #92615

AZM625

AZM625: 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: 92615
InChIKey: BFMYHRUQBZNPNN-UHFFFAOYSA-N
Canonical SMILES: OC(=O)c1cncc(c1)c2ccc(c(c2)C(=O)NCC45(CC3CC(CC(C3)C4)C5))Cl
Standard InChI: InChI=1S/C24H25ClN2O3/c25-21-2-1-17(18-6-19(23(29)30)12-26-11-18)7-20(21)22(28)27-13-24-8-14-3-15(9-24)5-16(4-14)10-24/h1-2,6-7,11-12,14-16H,3-5,8-10,13H2,(H,27,28)(H,29,30)
Stored Murcko scaffold: n1cccc(c1)-c2cccc([CH]NCC34CC5CC(CC(C5)C3)C4)c2

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.29 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.921 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.036; 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 · AZM625