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BioLiP

PDB CCD ID: N43
Number of entries in BioLiP: 1
Chemical formula: C20 H20 N2 O5
InChI: InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey: NXFNSWGPJUOQPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23
ACDLabs 12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
OpenEye OEToolkits 2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC
Name:5-methoxy-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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