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BioLiP Library

PDB CCD ID: U13
Number of entries in BioLiP: 1
Chemical formula: C9 H7 F N6
InChI: InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11H,12H2/b11-8+,14-13+
InChIKey: HALOLQDLOLYIOW-ZOBWXTBZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C1C(=C(N=N1)N)N=Nc2ccc(cc2)F
CACTVS 3.341NC1=C(N=Nc2ccc(F)cc2)C(=N)N=N1
OpenEye OEToolkits 1.5.0[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F
ACDLabs 10.04Fc2ccc(/N=N/C=1C(=[N@H])N=NC=1N)cc2
Name:4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PYRAZOL-3-YLAMINE
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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