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BioLiP

PDB CCD ID: ZKZ
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N3 O4
InChI: InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)
InChIKey: QBRVSAXGTOEUNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2
ACDLabs 12.01CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1
OpenEye OEToolkits 2.0.7CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3
Name:N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-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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