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BioLiP

PDB CCD ID: W9E
Number of entries in BioLiP: 2
Chemical formula: C8 H7 F3 N2 O
InChI: InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKey: QCVFLUSIBKAKPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=N)NO)C(F)(F)F
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc(cc1)C(F)(F)F)/NO
CACTVS 3.385ONC(=N)c1ccc(cc1)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1ccc(cc1)C(=N)NO
Name:N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide
ZINC: ZINC000012650621
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)(download the PDF file).
  • 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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