ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1563865
CHEMBL1563865
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H17ClN2O3S

Additional synonyms for CHEMBL1563865 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cccc(NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)c1
Standard InChI InChI=1S/C22H17ClN2O3S/c1-3-28-22(27)13-5-4-6-14(10-13)24-21 ...
Download InChI
Standard InChI Key DPAQEMSGPATGJG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1563865

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
424.9 424.0648 5.84 4 68.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 1.73 5.22 5.22 4 29 0.33

Structural Alerts

There are 7 structural alerts for CHEMBL1563865. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPAQEMSGPATGJG-UHFFFAOYSA-N
PubChem SID: 24385444

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1563865



eMolecules 17431867
Mcule MCULE-4601777405
MolPort MolPort-007-650-807
PubChem 16009121
ZINC ZINC000008599691

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