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BioLiP Library

PDB CCD ID: W0H
Number of entries in BioLiP: 1
Chemical formula: C11 H14 F N O3
InChI: InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey: KQIHDBIHUIVIAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COCCNC(=O)COc1ccc(F)cc1
OpenEye OEToolkits 2.0.7COCCNC(=O)COc1ccc(cc1)F
Name:2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
ZINC: ZINC000019935044
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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