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BioLiP

PDB CCD ID: V32
Number of entries in BioLiP: 1
Chemical formula: C12 H13 N O3
InChI: InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
InChIKey: WVDVJQSVTBHGQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)C(=O)N2CCOCC2
CACTVS 3.385O=Cc1ccc(cc1)C(=O)N2CCOCC2
Name:4-morpholin-4-ylcarbonylbenzaldehyde
ZINC: ZINC000039320504
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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