ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL318684
CHEMBL318684
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H25Cl2NO5S

Additional synonyms for CHEMBL318684 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc3cccc(c3)C4SC(=O)NC4=O
Standard InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(2 ...
Download InChI
Standard InChI Key SXOUCNMFIUAZNE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL318684

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
546.5 545.083 7.61 11 73.86 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 8.21 6.87 3 36 0.25

Structural Alerts

There are 3 structural alerts for CHEMBL318684. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SXOUCNMFIUAZNE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL318684



Nikkaji J2.028.393I
PubChem 44327417

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