Molecule card · MolClass #92906

AZM927

AZM927: 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: 92906
InChIKey: DFQGDHBGRSTTHX-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccc(cn1)c2ccc(cc2)Cn4c3ccc(cc3c(c4(CC(C)(C)C(=O)O))SC(C)(C)C)OCc5ccc(C)cn5
Standard InChI: InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
Stored Murcko scaffold: n1cccc(c1)-c2ccc(cc2)Cn3ccc4cc(OCc5ncccc5)ccc43

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.77 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 637.833 g/mol; CDK 2.12 · 2026-08-19
XLogP: 8.478; 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 · AZM927