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BioLiP

PDB CCD ID: T7Y
Number of entries in BioLiP: 2
Chemical formula: C12 H14 N2 O2
InChI: InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
InChIKey: CNXMKORZVSCVGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1cccc(c1)N2CCCC2=O
ACDLabs 12.01N2(c1cccc(c1)NC(C)=O)CCCC2=O
Name:N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
ChEMBL: CHEMBL1565601
ZINC: ZINC000000290981
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)(download the PDF file).
  • 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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