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BioLiP

PDB CCD ID: 4OB
Number of entries in BioLiP: 4
Chemical formula: C14 H11 F3 N2 O
InChI: InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-4-5-10(9-11)13(19-20)18-12-7-2-1-3-8-12/h1-9,20H,(H,18,19)
InChIKey: SFPWZRCGYUTPNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)N=C(c2cccc(c2)C(F)(F)F)NO
CACTVS 3.385ONC(=Nc1ccccc1)c2cccc(c2)C(F)(F)F
OpenEye OEToolkits 1.9.2c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO
ACDLabs 12.01FC(c1cccc(c1)/C(NO)=N\c2ccccc2)(F)F
Name:N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide
ChEMBL: CHEMBL501382
ZINC: ZINC000004695447
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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