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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1814391
CHEMBL1814391
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H18N2O5S

Additional synonyms for CHEMBL1814391 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccccc2C(=O)/C/1=C\Nc3ccc(cc3)S(=O)(=O)N
Standard InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25 ...
Download InChI
Standard InChI Key AVQUFASKLOBGCJ-RVDMUPIBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1814391

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
374.4 374.0936 2.27 5 107.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.05 - 1.26 1.26 2 26 0.78

Structural Alerts

There are 3 structural alerts for CHEMBL1814391. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AVQUFASKLOBGCJ-RVDMUPIBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1814391



BindingDB 237231
PubChem 56678723
PubChem: Thomson Pharma 163468993

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