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BioLiP Library

PDB CCD ID: 7T0
Number of entries in BioLiP: 1
Chemical formula: C9 H4 Cl2 F3 N3
InChI: InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
InChIKey: XVFXHCLMGYJAQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl
OpenEye OEToolkits 2.0.7c1cc(c(c(c1n2ccnn2)Cl)C(F)(F)F)Cl
Name:1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole;
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
ChEMBL: CHEMBL5178575
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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