ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117663
CHEMBL117663
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H41FNO4P

Additional synonyms for CHEMBL117663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(F)P(=O)(O)O
Standard InChI InChI=1S/C21H41FNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16 ...
Download InChI
Standard InChI Key FZRVIHRVKSRALK-KTKRTIGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117663

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
421.5 421.2757 6 19 86.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 1 5 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.05 - 6.42 2.1 0 28 0.14

Structural Alerts

There are 10 structural alerts for CHEMBL117663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FZRVIHRVKSRALK-KTKRTIGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117663



BindingDB 50148354
PubChem 44343880
SureChEMBL SCHEMBL13110068

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