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BioLiP Library

PDB CCD ID: 8FS
Number of entries in BioLiP: 0
Chemical formula: C8 H4 F2
InChI: InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChIKey: HRUJQXRGWQWYDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C#Cc1ccc(cc1F)F
CACTVS 3.385Fc1ccc(C#C)c(F)c1
ACDLabs 12.01Fc1cc(F)ccc1C#C
Name:1-ethynyl-2,4-difluorobenzene
ZINC: ZINC000000404197
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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