Molecule card · MolClass #92367

AZM365

AZM365: 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: 92367
InChIKey: YXOROSQPTDHFJJ-UHFFFAOYSA-N
Canonical SMILES: CNC(=O)c4cccc(NC(=O)Nc1cccc(C#N)c1)c4(CN2CCC(CC2)Cc3ccc(F)cc3)
Standard InChI: InChI=1S/C29H30FN5O2/c1-32-28(36)25-6-3-7-27(34-29(37)33-24-5-2-4-22(17-24)18-31)26(25)19-35-14-12-21(13-15-35)16-20-8-10-23(30)11-9-20/h2-11,17,21H,12-16,19H2,1H3,(H,32,36)(H2,33,34,37)
Stored Murcko scaffold: c1ccc(cc1)N[CH]Nc2ccccc2CN3CCC(Cc4ccccc4)CC3

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 97.26 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 499.58 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.339; 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 · AZM365