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BioLiP

PDB CCD ID: QHX
Number of entries in BioLiP: 2
Chemical formula: C7 H5 F2 N O2
InChI: InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
InChIKey: HIJCVQNNEDULLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cc(F)cc(F)c1
OpenEye OEToolkits 2.0.7c1c(cc(cc1F)F)C(=O)NO
ACDLabs 12.01Fc1cc(cc(F)c1)C(=O)NO
Name:3,5-difluoro-N-hydroxybenzamide

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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