SEQ2FUN

BioLiP

PDB CCD ID: WNP
Number of entries in BioLiP: 5
Chemical formula: C8 H5 Cl F3 N O
InChI: InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey: VRKVCIVKSRGSLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)NC(=O)C(F)(F)F
ACDLabs 12.01c1cc(NC(C(F)(F)F)=O)cc(c1)Cl
CACTVS 3.385FC(F)(F)C(=O)Nc1cccc(Cl)c1
Name:N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
ZINC: ZINC000000368461
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).