Molecule card · MolClass #93075

AZM1097

AZM1097: 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: 93075
InChIKey: FYFNJJQUMONMPL-UHFFFAOYSA-N
Canonical SMILES: Fc6cccc(COc1ccc(cc1Cl)Nc3ncnc2ccc(cc23)c4cccc(c4)N5CCOCC5)c6
Standard InChI: InChI=1S/C31H26ClFN4O2/c32-28-18-25(8-10-30(28)39-19-21-3-1-5-24(33)15-21)36-31-27-17-23(7-9-29(27)34-20-35-31)22-4-2-6-26(16-22)37-11-13-38-14-12-37/h1-10,15-18,20H,11-14,19H2,(H,34,35,36)
Stored Murcko scaffold: n1cnc(Nc2ccc(OCc3ccccc3)cc2)c4cc(ccc14)-c5cccc(c5)N6CCOCC6

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 59.51 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 541.016 g/mol; CDK 2.12 · 2026-08-19
XLogP: 7.301; 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 · AZM1097