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BioLiP

PDB CCD ID: WAX
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKey: RFFVEVKGZGRRCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)C(=O)N2CCOCC2
ACDLabs 12.01O=C(c1cccc(N)c1)N1CCOCC1
CACTVS 3.385Nc1cccc(c1)C(=O)N2CCOCC2
Name:(3-aminophenyl)(morpholin-4-yl)methanone
ZINC: ZINC000003111380
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)(download the PDF file).
  • 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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