4FC

4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID

Created:2005-03-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count13
2D diagram of 4FC
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Chemical Component Summary

Name4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)4-(4-fluorophenyl)benzoic acid
FormulaC13 H9 F O2
Molecular Weight216.208
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc2ccc(c1ccc(C(=O)O)cc1)cc2
SMILESCACTVS3.341OC(=O)c1ccc(cc1)c2ccc(F)cc2
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1c2ccc(cc2)F)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1ccc(cc1)c2ccc(F)cc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1c2ccc(cc2)F)C(=O)O
InChIInChI1.03 InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKeyInChI1.03 LXWNTLBMNCXRQN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07108 
Name4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID
Groups experimental
Synonyms4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Bcl-2-like protein 1MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSA...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 2782689
ChEMBL CHEMBL106708