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BioLiP

PDB CCD ID: N07
Number of entries in BioLiP: 3
Chemical formula: C21 H21 N3 O2
InChI: InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKey: IKHAJTCUSZHKAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
Name:[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
ZINC: ZINC000096132694
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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