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BioLiP

PDB CCD ID: CW2
Number of entries in BioLiP: 4
Chemical formula: C12 H20 Cl4 N2 O2
InChI: InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
InChIKey: FAOMZVDZARKPFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl
CACTVS 3.385ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl
OpenEye OEToolkits 2.0.6C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl
Name:N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
ChEMBL: CHEMBL3276621
ZINC: ZINC000006845427
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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