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BioLiP

PDB CCD ID: V3W
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N O3
InChI: InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKey: ZOMLYGRJHVNCLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC1CCN(CC1)C(=O)c2ccc(cc2)C=O
CACTVS 3.385COC1CCN(CC1)C(=O)c2ccc(C=O)cc2
Name:4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
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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