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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL565810
CHEMBL565810
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H23N3O5S3

Additional synonyms for CHEMBL565810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2c3ccc(OCc4ccccc4)cc3)c5ccc ...
Download SMILES
Standard InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,3 ...
Download InChI
Standard InChI Key BKKZXYQHBNATKO-UQQQWYQISA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL565810

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
577.7 577.08 6.19 9 167.5 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.37 - 1.63 -1.87 4 39 0.14

Structural Alerts

There are 12 structural alerts for CHEMBL565810. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BKKZXYQHBNATKO-UQQQWYQISA-N
PubChem SID: 85256226

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL565810



BindingDB 50303175
eMolecules 26494582
LINCS LSM-42865
Mcule MCULE-7663127276
MolPort MolPort-000-429-434
PubChem 5998084
PubChem: Thomson Pharma 74370423
SureChEMBL SCHEMBL8931565
ZINC ZINC000049670037

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