BioLiP

PDB

BioLiP

PDB CCD ID:

0X3

Number of entries in BioLiP:

Chemical formula:

C12 H6 Cl F N4 O3

InChI:

InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H

InChIKey:

CDQUJZKBRAFWNG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F
CACTVS 3.370	[O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc3nonc13
ACDLabs 12.01	Fc1cc(cc(Cl)c1)Nc2ccc3nonc3c2[N+]([O-])=O

Name:

N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

ChEMBL:

CHEMBL2311933

ZINC:

ZINC000095596639

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).