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BioLiP

PDB CCD ID: XEL
Number of entries in BioLiP: 1
Chemical formula: C13 H10 Cl F N2
InChI: InChI=1S/C13H10ClFN2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H
InChIKey: UTOSOXCDURPRKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccc(/C=N/Nc2cccc(F)c2)cc1
CACTVS 3.385Fc1cccc(N\N=C\c2ccc(Cl)cc2)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)NN=Cc2ccc(cc2)Cl
CACTVS 3.385Fc1cccc(NN=Cc2ccc(Cl)cc2)c1
Name:(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-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)(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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