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BioLiP

PDB CCD ID: Y2G
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N3 O4
InChI: InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)
InChIKey: JJPYFJYYNVUAAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC
CACTVS 3.385COCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
ACDLabs 12.01N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O
Name:N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
ZINC: ZINC000069537964
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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