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BioLiP

PDB CCD ID: RWP
Number of entries in BioLiP: 3
Chemical formula: C10 H8 F3 N O3
InChI: InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey: MDDVOSSRTNAXHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F
ACDLabs 12.01c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC
CACTVS 3.385COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1
Name:methyl 4-[(trifluoroacetyl)amino]benzoate
ZINC: ZINC000000283931
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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