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BioLiP Library

PDB CCD ID: 8RV
Number of entries in BioLiP: 4
Chemical formula: C14 H20 N2 O
InChI: InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)
InChIKey: PXKZVCOKJFOTQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)C1CCN(CC1)Cc2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NC1CCN(CC1)Cc2ccccc2
Name:N-(1-benzylpiperidin-4-yl)acetamide
ZINC: ZINC000020816470
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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