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BioLiP

PDB CCD ID: N3R
Number of entries in BioLiP: 1
Chemical formula: C19 H17 F N2 O4
InChI: InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKey: HLMOMNRZAYBAJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F
CACTVS 3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23
ACDLabs 12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
Name:5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-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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