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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292782
CHEMBL292782
Compound Name
ChEMBL Synonyms LY-292728
Max Phase 0
Trade Names
Molecular Formula C34H29FO9

Additional synonyms for CHEMBL292782 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc(c(O)cc1OCCCOc2ccc3C(=O)c4cc(ccc4Oc3c2CCC(=O)O)C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)1 ...
Download InChI
Standard InChI Key DCTKEJXAVFAMFK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292782

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
600.6 600.1796 6.58 12 143.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 9 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.88 - 6.37 1.64 5 44 0.11

Structural Alerts

There are 3 structural alerts for CHEMBL292782. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DCTKEJXAVFAMFK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292782



ACToR 153034-77-6
BindingDB 50029464
EPA CompTox Dashboard DTXSID00165204
IBM Patent System 047A54198B3EB69A47702D4C14989262
PubChem 192617
PubChem: Thomson Pharma 14936152
SureChEMBL SCHEMBL13696764
ZINC ZINC000003917196

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