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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2337691
CHEMBL2337691
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O5S

Additional synonyms for CHEMBL2337691 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Standard InChI InChI=1S/C15H16N2O5S/c18-15(17-19)10-16-23(20,21)14-8-6-13(7 ...
Download InChI
Standard InChI Key ZVJILQAAQQNBOP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2337691

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
336.4 336.078 1.05 7 104.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.89 - 1.08 1.06 2 23 0.52

Structural Alerts

There are 7 structural alerts for CHEMBL2337691. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZVJILQAAQQNBOP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2337691



BindingDB 50429818
Nikkaji J3.251.268B
PubChem 71652216
ZINC ZINC000095588506

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