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BioLiP

PDB CCD ID: YQF
Number of entries in BioLiP: 2
Chemical formula: C15 H17 F4 N O
InChI: InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2
InChIKey: ITAKDOUYMNISSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1C2CCN(CC2)C(=O)CCC(F)(F)F)F
Name:4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one
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).
  • 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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