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BioLiP

PDB CCD ID: XEH
Number of entries in BioLiP: 1
Chemical formula: C13 H10 Cl F N2
InChI: InChI=1S/C13H10ClFN2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+
InChIKey: DFIGWNLJZASRTJ-CXUHLZMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(NN=Cc2ccc(Cl)cc2)cc1
ACDLabs 12.01Clc1ccc(/C=N/Nc2ccc(F)cc2)cc1
CACTVS 3.385Fc1ccc(N\N=C\c2ccc(Cl)cc2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C=NNc2ccc(cc2)F)Cl
Name:(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
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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