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BioLiP

PDB CCD ID: TN3
Number of entries in BioLiP: 2
Chemical formula: C14 H11 Cl2 N O3
InChI: InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)
InChIKey: IWVJLENCOIFPGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
ACDLabs 10.04Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC
OpenEye OEToolkits 1.5.0CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl
Name:3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE
ChEMBL: CHEMBL197474
ZINC: ZINC000028562852
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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