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BioLiP

PDB CCD ID: H4G
Number of entries in BioLiP: 2
Chemical formula: C13 H10 F2 N2 O
InChI: InChI=1S/C13H10F2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-11-2-1-5-16-8-11/h1-5,7-8H,6H2,(H,17,18)
InChIKey: RWAUIOABZSEIGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F
CACTVS 3.385Fc1ccc(CC(=O)Nc2cccnc2)c(F)c1
ACDLabs 12.01N(C(Cc1ccc(F)cc1F)=O)c2cccnc2
Name:2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide
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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