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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028186
CHEMBL2028186
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H9ClN2Na2O9S2

Additional synonyms for CHEMBL2028186 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].Oc1ccc(Cl)cc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)[O ...
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Standard InChI InChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15- ...
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Standard InChI Key LNXMADNIUWFTPP-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2028186

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
474.9 473.9594 3.52 4 194.15 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 11 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.76 - -1.57 -6.36 3 30 0.28

Structural Alerts

There are 12 structural alerts for CHEMBL2028186. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LNXMADNIUWFTPP-UHFFFAOYSA-L
PubChem SID: 49731946

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028186



MolPort MolPort-006-112-268

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