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BioLiP

PDB CCD ID: Y3N
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2 O
InChI: InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey: OBFBGHKUUCGSPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1ccc(cc1C(F)(F)F)C#N
ACDLabs 12.01O=C(C)Nc1ccc(cc1C(F)(F)F)C#N
Name:N-[4-cyano-2-(trifluoromethyl)phenyl]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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