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BioLiP

PDB CCD ID: 613
Number of entries in BioLiP: 2
Chemical formula: C11 H15 Cl N4
InChI: InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
InChIKey: HYVSDWLVUBTZRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl
CACTVS 3.370NC(=N)N1CCN(CC1)c2ccc(Cl)cc2
ACDLabs 12.01Clc2ccc(N1CCN(C(=[N@H])N)CC1)cc2
OpenEye OEToolkits 1.7.2c1cc(ccc1N2CCN(CC2)C(=N)N)Cl
Name:4-(4-chlorophenyl)piperazine-1-carboximidamide
ChEMBL: CHEMBL1215544
ZINC: ZINC000003631917
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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