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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL311266
CHEMBL311266
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N2O8S

Additional synonyms for CHEMBL311266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c2ccc(cc2)c3ccc(OC)cc3)C(=O) ...
Download SMILES
Standard InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14- ...
Download InChI
Standard InChI Key YUWSFQQPCKKPJG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL311266

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
506.6 506.1723 2.59 10 131.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.22 - 3.55 -.15 2 35 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL311266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUWSFQQPCKKPJG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL311266



BindingDB 50102477
Nikkaji J1.452.951I
PubChem 10164317
PubChem: Thomson Pharma 15157486
SureChEMBL SCHEMBL7251321

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