BioLiP

PDB

BioLiP

PDB CCD ID:

H1J

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl F N O

InChI:

InChI=1S/C14H11ClFNO/c15-11-2-1-3-13(9-11)17-14(18)8-10-4-6-12(16)7-5-10/h1-7,9H,8H2,(H,17,18)

InChIKey:

BNRVDRRNZNBFGG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl
CACTVS 3.385	Fc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F

Name:

N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide

ZINC:

ZINC000005560110

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).