BioLiP

PDB

BioLiP

PDB CCD ID:

UTQ

Number of entries in BioLiP:

Chemical formula:

C13 H10 Cl F3 N2 O4

InChI:

InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21)

InChIKey:

GGXGVBQCYFQKID-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC
CACTVS 3.385	COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F

Name:

3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;
3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione

ChEMBL:

CHEMBL5219727

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).