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BioLiP

PDB CCD ID: JIF
Number of entries in BioLiP: 3
Chemical formula: C6 H3 F3 O
InChI: InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey: ZRTWIJKGTUGZJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(cc(c(c1F)F)F)O
CACTVS 3.385Oc1cc(F)c(F)c(F)c1
Name:3,4,5-tris(fluoranyl)phenol
ZINC: ZINC000002584330
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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