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BioLiP

PDB CCD ID: ZYB
Number of entries in BioLiP: 0
Chemical formula: C7 H7 F N2 O
InChI: InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey: OSUPWUQRPLIJKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N\O)/c1ccc(F)cc1
CACTVS 3.385NC(=NO)c1ccc(F)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=NO)N)F
OpenEye OEToolkits 1.7.6c1cc(ccc1/C(=N/O)/N)F
ACDLabs 12.01Fc1ccc(C(=N\O)\N)cc1
Name:4-Fluorobenzamidoxime
ZINC: ZINC000012649842
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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