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BioLiP

PDB CCD ID: PFB
Number of entries in BioLiP: 54
Chemical formula: C7 H3 F5 O
InChI: InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey: PGJYYCIOYBZTPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(c1c(c(c(c(c1F)F)F)F)F)O
CACTVS 3.341OCc1c(F)c(F)c(F)c(F)c1F
ACDLabs 10.04Fc1c(c(F)c(F)c(F)c1F)CO
Name:2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
DrugBank: DB01711
ZINC: ZINC000001627118
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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