BioLiP

PDB

BioLiP

PDB CCD ID:

W0H

Number of entries in BioLiP:

Chemical formula:

C11 H14 F N O3

InChI:

InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)

InChIKey:

KQIHDBIHUIVIAI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	COCCNC(=O)COc1ccc(F)cc1
OpenEye OEToolkits 2.0.7	COCCNC(=O)COc1ccc(cc1)F

Name:

2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide

ZINC:

ZINC000019935044

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).