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BioLiP

PDB CCD ID: ZGF
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N O3
InChI: InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
InChIKey: WITYEMPIFDFQAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1cc2c(cc1Cl)OCO2
ACDLabs 12.01
CACTVS 3.385		CC(=O)Nc1cc2OCOc2cc1Cl
Name:N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
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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