BioLiP

PDB

BioLiP

PDB CCD ID:

A1CVP

Number of entries in BioLiP:

Chemical formula:

C9 H6 F2 N2 O

InChI:

InChI=1S/C9H6F2N2O/c1-5(14)13-9-6(4-12)2-7(10)3-8(9)11/h2-3H,1H3,(H,13,14)

InChIKey:

BCORERVQXIHMTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(C)Nc1c(cc(F)cc1F)C#N
OpenEye OEToolkits 3.1.0.0	CC(=O)Nc1c(cc(cc1F)F)C#N
CACTVS 3.385	CC(=O)Nc1c(F)cc(F)cc1C#N

Name:

N-(2-cyano-4,6-difluorophenyl)acetamide

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).