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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1819479
CHEMBL1819479
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H26F6O4

Additional synonyms for CHEMBL1819479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc3ccc(cc3)C(F)(F)F ...
Download SMILES
Standard InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-1 ...
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Standard InChI Key KGYQXMLYIWZACL-RCCKNPSSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1819479

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
552.5 552.1735 8.54 11 55.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 4 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 8.46 5.86 3 39 0.19

Structural Alerts

There are 5 structural alerts for CHEMBL1819479. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KGYQXMLYIWZACL-RCCKNPSSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1819479



BindingDB 50396066
Brenda 84595
PubChem 53363314
PubChem: Thomson Pharma 125266230
ZINC ZINC000072113418

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