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BioLiP

PDB CCD ID: NW4
Number of entries in BioLiP: 3
Chemical formula: C13 H23 N O2
InChI: InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
InChIKey: KUIOCGNNDZSGKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCOCC1)C(=O)CCC2CCCCC2
CACTVS 3.385O=C(CCC1CCCCC1)N2CCOCC2
OpenEye OEToolkits 2.0.6C1CCC(CC1)CCC(=O)N2CCOCC2
Name:3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
ZINC: ZINC000000460647
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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