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BioLiP Library

PDB CCD ID: 7IY
Number of entries in BioLiP: 2
Chemical formula: C9 H11 Cl N2 O2
InChI: InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey: NBKYWFKVWBQTFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCC(=O)Nc1ccc(Cl)c(N)c1
OpenEye OEToolkits 2.0.7COCC(=O)Nc1ccc(c(c1)N)Cl
Name:~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
ZINC: ZINC000008732400
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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