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BioLiP

PDB CCD ID: E23
Number of entries in BioLiP: 8
Chemical formula: C19 H20 F3 N O
InChI: InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKey: RYYHDFPDKHYSSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
ACDLabs 12.01O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
CACTVS 3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
Name:N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
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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