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BioLiP

PDB CCD ID: LRR
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N O2
InChI: InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey: VCWRKWJSYZSPEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCC(=O)N2CCOCC2
CACTVS 3.385O=C(CCCc1ccccc1)N2CCOCC2
ACDLabs 12.01O=C(CCCc1ccccc1)N1CCOCC1
Name:1-(morpholin-4-yl)-4-phenylbutan-1-one
ZINC: ZINC000000012163
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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