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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094713
CHEMBL2094713
Compound Name
ChEMBL Synonyms DNDI1417451
Max Phase 0
Trade Names
Molecular Formula C16H13ClN2O2S

Additional synonyms for CHEMBL2094713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)c3cccnc23
Standard InChI InChI=1S/C16H13ClN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9- ...
Download InChI
Standard InChI Key SUAWQKBCCJDMLS-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094713

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
332.8 332.0386 4 3 59.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.31 .51 4.6 4.47 3 22 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL2094713. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUAWQKBCCJDMLS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094713



eMolecules 1072991
Mcule MCULE-9507305635
MolPort MolPort-001-823-334
PubChem 1380886
SureChEMBL SCHEMBL14479869
ZINC ZINC000001233332

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