BioLiP

PDB

BioLiP

PDB CCD ID:

FBF

Number of entries in BioLiP:

Chemical formula:

C8 H7 F3 N2

InChI:

InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)

InChIKey:

XFLGYXVBXUAGQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(=N)c1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 1.7.0	[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N
ACDLabs 12.01	FC(F)(F)c1ccc(C(=[N@H])N)cc1
OpenEye OEToolkits 1.7.0	c1cc(ccc1C(=N)N)C(F)(F)F

Name:

4-(trifluoromethyl)benzenecarboximidamide

ChEMBL:

CHEMBL1921972

ZINC:

ZINC000000118910

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).