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BioLiP Library

PDB CCD ID: 64I
Number of entries in BioLiP: 2
Chemical formula: C12 H2 F8 O2
InChI: InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H
InChIKey: MOFZHBRFFAIMKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F
OpenEye OEToolkits 1.7.6c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F
CACTVS 3.370Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F
Name:2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
ZINC: ZINC000002168906
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)(download the PDF file).
  • 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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