BioLiP

PDB

BioLiP

PDB CCD ID:

A1BL1

Number of entries in BioLiP:

Chemical formula:

C9 H8 F3 N O

InChI:

InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)

InChIKey:

DFDHFECLWHHELH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(C)Nc1ccc(cc1)C(F)(F)F
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CC(=O)Nc1ccc(cc1)C(F)(F)F

Name:

N-[4-(trifluoromethyl)phenyl]acetamide

ChEMBL:

CHEMBL4063315

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).