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BioLiP

PDB CCD ID: JLZ
Number of entries in BioLiP: 1
Chemical formula: C8 H9 F N2
InChI: InChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKey: PWQHQNWOXBOOTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C(/c1ccc(c(c1)F)C)\N
OpenEye OEToolkits 1.7.0Cc1ccc(cc1F)C(=N)N
ACDLabs 12.01Fc1cc(C(=[N@H])N)ccc1C
CACTVS 3.370Cc1ccc(cc1F)C(N)=N
Name:3-fluoro-4-methylbenzenecarboximidamide
ZINC: ZINC000000127650
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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