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BioLiP

PDB CCD ID: D8N
Number of entries in BioLiP: 0
Chemical formula: C11 H12 N2 O2
InChI: InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1
InChIKey: NXJZQAOQHFVDJW-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(cc1)[CH]2CC=NO2
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(cc1)C2CC=NO2
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2
Name:~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
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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