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BioLiP

PDB CCD ID: UPJ
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N2 O2
InChI: InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
InChIKey: UGFUNCZTAQSFHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O
CACTVS 3.385CN(C(=O)C1CCN(CC1)C(C)=O)c2ccccc2
OpenEye OEToolkits 2.0.7CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2
Name:1-acetyl-N-methyl-N-phenylpiperidine-4-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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