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BioLiP

PDB CCD ID: KW9
Number of entries in BioLiP: 1
Chemical formula: C19 H17 F N2 O4
InChI: InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKey: KKIJAAYVRSUCNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F
CACTVS 3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23
ACDLabs 12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21
Name:7-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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