Molecule card · MolClass #92305

AZM302

AZM302: 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: 92305
InChIKey: MNNQEJPFOUFJBU-UHFFFAOYSA-N
Canonical SMILES: CC(C)CN3C(=O)N(C)C(=O)c2c(c(Cc1ccccc1C(F)(F)F)sc23)SC4CCCC4
Standard InChI: InChI=1S/C24H27F3N2O2S2/c1-14(2)13-29-22-19(21(30)28(3)23(29)31)20(32-16-9-5-6-10-16)18(33-22)12-15-8-4-7-11-17(15)24(25,26)27/h4,7-8,11,14,16H,5-6,9-10,12-13H2,1-3H3
Stored Murcko scaffold: n1cnc2sc(c(SC3CCCC3)c2c1)Cc4ccccc4

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: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 94.16 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 496.612 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.536; 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 · AZM302