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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1814394
CHEMBL1814394
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16Br2N2O5S

Additional synonyms for CHEMBL1814394 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)/C/1=C\Nc3ccc(cc3)S(=O)(=O)N
Standard InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11) ...
Download InChI
Standard InChI Key BMWXCQVVGGWPAJ-NTEUORMPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1814394

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
532.2 529.9147 3.79 5 107.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10 - 2.56 2.56 2 28 0.57

Structural Alerts

There are 5 structural alerts for CHEMBL1814394. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BMWXCQVVGGWPAJ-NTEUORMPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1814394



BindingDB 237233
PubChem 56658123

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