SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H11 Cl F2 N2 O2

InChI:

InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2

InChIKey:

QOIYTRGFOFZNKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2
OpenEye OEToolkits 2.0.7	c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl

Name:

Flupyradifurone;
3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one

ChEMBL:

ZINC:

ZINC000086012803

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).