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BioLiP

PDB CCD ID: SQT
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N5
InChI: InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)
InChIKey: UKIJUFIFFKYHSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc(nc1)N2CCN(CC2)c3ccccc3)/N
ACDLabs 12.01N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CCN(CC2)c3ccc(cn3)C(=N)N
CACTVS 3.385NC(=N)c1ccc(nc1)N2CCN(CC2)c3ccccc3
Name:6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
ZINC: ZINC000019507343
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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