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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2356737
CHEMBL2356737
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H11N2Na3O10S3

Additional synonyms for CHEMBL2356737 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)[O-])c4cc ...
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Standard InChI InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12( ...
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Standard InChI Key WLDHEUZGFKACJH-FAIYXUOWSA-K

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2356737

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
538.5 537.9811 3.85 5 208.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.67 - -2.25 -7.75 4 35 0.21

Structural Alerts

There are 12 structural alerts for CHEMBL2356737. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WLDHEUZGFKACJH-FAIYXUOWSA-K
PubChem SID: 144205833 SID: 144209987

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2356737



EPA CompTox Dashboard DTXSID2021232

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WLDHEUZGFKACJH-FAIYXUOWSA-K spacer
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