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BioLiP

PDB CCD ID: U4D
Number of entries in BioLiP: 1
Chemical formula: C6 H4 F3 N O
InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ncc1C(F)(F)F)O
CACTVS 3.385Oc1ccc(cn1)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cnc(O)cc1
Name:5-(trifluoromethyl)pyridin-2-one
ZINC: ZINC000008698270
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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