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BioLiP

PDB CCD ID: 25V
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N2 O2
InChI: InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21)
InChIKey: YSGOTUAMXVUKOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C
ACDLabs 12.01O=C(Nc3cccc(c2c1c(cccc1)[n+]([O-])c(c2)C)c3)C
CACTVS 3.385CC(=O)Nc1cccc(c1)c2cc(C)[n+]([O-])c3ccccc23
Name:N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
ChEMBL: CHEMBL2436009
ZINC: ZINC000095921075
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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