Molecule card · MolClass #92537
AZM541
AZM541: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 92537
- InChIKey
- AQXNOXJAJOOFPU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(c1cc(F)ccc1n2(CC(=O)O))S(=O)(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H13ClFNO4S/c1-10-17(25(23,24)13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
- Stored Murcko scaffold
- S(c1ccccc1)c2c[nH]c3ccccc23
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.
View all molecules with this 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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.809
- 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 · AZM541