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BioLiP

PDB CCD ID: FSZ
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2
OpenEye OEToolkits 2.0.6c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2
CACTVS 3.385NC(=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, Peter L 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).

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