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BioLiP

PDB CCD ID: 46R
Number of entries in BioLiP: 1
Chemical formula: C6 H5 F3 N2 O2
InChI: InChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-13-11-4/h1-2H,3H2,(H,10,12)
InChIKey: OOPKAKDUIYDDGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)CNC(=O)c1ccon1
OpenEye OEToolkits 1.9.2c1conc1C(=O)NCC(F)(F)F
ACDLabs 12.01O=C(NCC(F)(F)F)c1nocc1
Name:N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
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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