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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408706
CHEMBL2408706
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H20BrN3O5S

Additional synonyms for CHEMBL2408706 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccc(Br)cc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4ccccn4
Standard InChI InChI=1S/C23H20BrN3O5S/c1-2-31-23-19(22(28)18-13-15(24)6-11- ...
Download InChI
Standard InChI Key XFKPSRXSSBKPHQ-RGEXLXHISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408706

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
530.4 529.0307 4.58 7 106.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 1.5 2.76 2.72 3 33 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL2408706. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFKPSRXSSBKPHQ-RGEXLXHISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408706



PubChem 72204320

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