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BioLiP

PDB CCD ID: 0IF
Number of entries in BioLiP: 1
Chemical formula: C7 H5 F N2
InChI: InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey: IQUNZGOZUJITBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1c(F)cccc1N
CACTVS 3.385Nc1cccc(F)c1C#N
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)F)C#N)N
Name:2-amino-6-fluorobenzonitrile
ZINC: ZINC000000153053
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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