BioLiP

PDB

BioLiP

PDB CCD ID:

FSZ

Number of entries in BioLiP:

Chemical formula:

C13 H17 F3 N4

InChI:

InChI=1S/C13H17F3N4/c14-13(15,16)10-5-9(8-1-3-19-4-2-8)6-11(7-10)20-12(17)18/h5-8,19H,1-4H2,(H4,17,18,20)

InChIKey:

SVJLJEMEWHBCNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2
OpenEye OEToolkits 2.0.6	c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2
CACTVS 3.385	NC(=N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2

Name:

1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine

ChEMBL:

CHEMBL4476817

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).