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BioLiP

PDB CCD ID: FTN
Number of entries in BioLiP: 21
Chemical formula: C17 H16 F3 N O2
InChI: InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
Name:N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide;
flutolanil;
N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide
ChEMBL: CHEMBL487185
ZINC: ZINC000000001479
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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