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BioLiP Library

PDB CCD ID: ANI
Number of entries in BioLiP: 0
Chemical formula: C7 H6 F3 N
InChI: InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 1.7.0c1cc(ccc1C(F)(F)F)N
ACDLabs 12.01FC(F)(F)c1ccc(N)cc1
Name:4-(trifluoromethyl)aniline
ChEMBL: CHEMBL1162294
ZINC: ZINC000000164442
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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