Molecule card · MolClass #92627

AZM637

AZM637: 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: 92627
InChIKey: VEXQDRCYDJOVGB-UHFFFAOYSA-N
Canonical SMILES: OC(=O)c1cccc(c1)c6ccc5c(ccc(c5(C(=O)NCC34(CC2CC(CC(C2)C3)C4)))Cl)n6
Standard InChI: InChI=1S/C28H27ClN2O3/c29-22-5-7-24-21(4-6-23(31-24)19-2-1-3-20(11-19)27(33)34)25(22)26(32)30-15-28-12-16-8-17(13-28)10-18(9-16)14-28/h1-7,11,16-18H,8-10,12-15H2,(H,30,32)(H,33,34)
Stored Murcko scaffold: n1c(ccc2c1cccc2[CH]NCC34CC5CC(CC(C5)C3)C4)-c6ccccc6

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: 474.98 g/mol; CDK 2.12 · 2026-08-19
XLogP: 7.48; 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 · AZM637