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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239859
CHEMBL239859
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H40ClN3O4S

Additional synonyms for CHEMBL239859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(Cl)cc2)C3(CC3)OC(=O)N4CC ...
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Standard InChI InChI=1S/C27H40ClN3O4S/c1-2-22-7-6-8-25(31(22)36(33,34)24-11 ...
Download InChI
Standard InChI Key OWRHDDWGVSCVLM-RCZVLFRGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL239859

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
538.2 537.2428 5.28 6 70.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.44 6.35 4.68 1 36 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL239859. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OWRHDDWGVSCVLM-RCZVLFRGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239859



BindingDB 50220284
PubChem 44435364
ZINC ZINC000028827225

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OWRHDDWGVSCVLM-RCZVLFRGSA-N spacer
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