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BioLiP

PDB CCD ID: OGO
Number of entries in BioLiP: 1
Chemical formula: C20 H18 N2 O4
InChI: InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
InChIKey: CEVTZHLIFCWJPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34
OpenEye OEToolkits 2.0.7COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4
ACDLabs 12.01O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
Name:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
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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