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BioLiP

PDB CCD ID: A1A3T
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N4
InChI: InChI=1S/C9H16N4/c1-12-7-9(6-11-12)8-13-4-2-10-3-5-13/h6-7,10H,2-5,8H2,1H3
InChIKey: QQINQSPEYDVMCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cn1cc(cn1)CN2CCNCC2
ACDLabs 14.52
CACTVS 3.385		Cn1cc(CN2CCNCC2)cn1
Name:1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine
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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