BioLiP

PDB

BioLiP

PDB CCD ID:

L5Q

Number of entries in BioLiP:

Chemical formula:

C7 H7 F3 N2 O2

InChI:

InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)

InChIKey:

XCSPVFNSKGQNKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1onc(c1)C(=O)NCC(F)(F)F
OpenEye OEToolkits 2.0.7	Cc1cc(no1)C(=O)NCC(F)(F)F

Name:

5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide

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).