BioLiP

PDB

BioLiP

PDB CCD ID:

MF5

Number of entries in BioLiP:

Chemical formula:

C14 H10 F5 N2 O

InChI:

InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+

InChIKey:

HYLZTSPDSFFOSU-CGOBSMCZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[n+]1ccccc1C=NOCc2c(c(c(c(c2F)F)F)F)F
OpenEye OEToolkits 1.9.2	C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F
CACTVS 3.385	C[n+]1ccccc1C=NOCc2c(F)c(F)c(F)c(F)c2F
ACDLabs 12.01	Fc1c(F)c(F)c(F)c(F)c1CO\N=C\c2[n+](cccc2)C
CACTVS 3.385	C[n+]1ccccc1/C=N/OCc2c(F)c(F)c(F)c(F)c2F

Name:

1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine;
methyl2-(pentafluorobenzyloxyimino)pyridinium

ZINC:

ZINC000095920605

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).