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BioLiP Library

PDB CCD ID: 8JW
Number of entries in BioLiP: 1
Chemical formula: C6 H5 F3 N2 O
InChI: InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey: UKJVAYOQXPDMHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=C(C(=O)NC=C1C(F)(F)F)N
CACTVS 3.385NC1=CC(=CNC1=O)C(F)(F)F
Name:3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
ZINC: ZINC000003181875
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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