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BioLiP Library

PDB CCD ID: W65
Number of entries in BioLiP: 1
Chemical formula: C8 H6 F2 O
InChI: InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
InChIKey: OLYKCPDTXVZOQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)C(F)F
CACTVS 3.385FC(F)C(=O)c1ccccc1
Name:2,2-bis(fluoranyl)-1-phenyl-ethanone
ZINC: ZINC000001708231
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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