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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215722
CHEMBL215722
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H41F2O5P

Additional synonyms for CHEMBL215722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)(F)P(=O)(O)O1
Standard InChI InChI=1S/C22H41F2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16 ...
Download InChI
Standard InChI Key CPQAPUVUTZHEAA-FQEVSTJZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215722

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
454.5 454.266 7.36 18 72.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.32 - 6.33 2.83 0 30 0.13

Structural Alerts

There are 17 structural alerts for CHEMBL215722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CPQAPUVUTZHEAA-FQEVSTJZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215722



BindingDB 50193516
PubChem 44414935
ZINC ZINC000043543828

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