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BioLiP

PDB CCD ID: A1AJ9
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N4 O
InChI: InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKey: UWNRWWIRIZDKLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccnc(n1)N2CCNCC2
ACDLabs 12.01COc1nc(ncc1)N1CCNCC1
Name:4-methoxy-2-(piperazin-1-yl)pyrimidine
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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