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BioLiP

PDB CCD ID: A1H8H
Number of entries in BioLiP: 8
Chemical formula: C10 H9 F2 N3 O
InChI: InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5H,4,6H2,(H,13,14)
InChIKey: UWNAFSDCDMGFTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(C(=O)CN2CNC=N2)c(F)c1
OpenEye OEToolkits 2.0.7c1cc(c(cc1F)F)C(=O)CN2CNC=N2
Name:1-[2,4-bis(fluoranyl)phenyl]-2-(3,4-dihydro-1,2,4-triazol-2-yl)ethanone
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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