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BioLiP

PDB CCD ID: 43F
Number of entries in BioLiP: 2
Chemical formula: C14 H11 Cl3 O2
InChI: InChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3
InChIKey: KGFZDWAEBKKPMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc2cc(Cl)ccc2Oc1ccc(cc1OC)CCl
OpenEye OEToolkits 1.9.2COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl
CACTVS 3.385COc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl
Name:2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE
ChEMBL: CHEMBL240807
ZINC: ZINC000028869363
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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