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BioLiP

PDB CCD ID: LHS
Number of entries in BioLiP: 1
Chemical formula: C12 H12 F N3 O3
InChI: InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)
InChIKey: ABEBQQLGINUBLA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(C(NCc1ccc(F)cc1)=O)noc2COC
OpenEye OEToolkits 2.0.6COCc1nc(no1)C(=O)NCc2ccc(cc2)F
CACTVS 3.385COCc1onc(n1)C(=O)NCc2ccc(F)cc2
Name:N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
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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