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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407597
CHEMBL2407597
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12BrNO4S

Additional synonyms for CHEMBL2407597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Br)cc2C(=O)O
Standard InChI InChI=1S/C14H12BrNO4S/c1-9-2-5-11(6-3-9)21(19,20)16-13-7-4-1 ...
Download InChI
Standard InChI Key IRSLSXOULRFZSM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407597

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
370.2 368.967 3.26 4 83.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.97 - 5.21 2.03 2 21 0.87

Structural Alerts

There are 3 structural alerts for CHEMBL2407597. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IRSLSXOULRFZSM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407597



BindingDB 50437324
MolPort MolPort-001-786-172
PubChem 44720028
SureChEMBL SCHEMBL19083016

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