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BioLiP

PDB CCD ID: Q40
Number of entries in BioLiP: 1
Chemical formula: C14 H20 N2 O
InChI: InChI=1S/C14H20N2O/c15-14(17)13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)
InChIKey: UCBQQQVQLFPZOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(=O)C1CCN(CCc2ccccc2)CC1
CACTVS 3.385NC(=O)C1CCN(CC1)CCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCN2CCC(CC2)C(=O)N
Name:1-(2-phenylethyl)piperidine-4-carboxamide
ZINC: ZINC000000757318
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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