BioLiP

PDB

BioLiP

PDB CCD ID:

OMW

Number of entries in BioLiP:

Chemical formula:

C15 H10 F5 N O2

InChI:

InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22)

InChIKey:

LRFNHIJSGVXHPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F

Name:

2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide

ChEMBL:

CHEMBL5080731

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).