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BioLiP

PDB CCD ID: ZMW
Number of entries in BioLiP: 1
Chemical formula: C17 H19 N3 O3
InChI: InChI=1S/C17H19N3O3/c21-16(15-7-4-12-23-15)19-8-10-20(11-9-19)17(22)18-13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)
InChIKey: QWLFDMKGVVLROL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1
CACTVS 3.385O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3
Name:N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
ZINC: ZINC000014136244
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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