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BioLiP Library

PDB CCD ID: 7SQ
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Cl F3 N3
InChI: InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H
InChIKey: SYIRPQOOLRXDHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1cc(ccc1Cl)n2ccnn2
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2ccnn2)C(F)(F)F)Cl
Name:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole
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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