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BioLiP

PDB CCD ID: QPK
Number of entries in BioLiP: 1
Chemical formula: C6 H3 Cl F2 O
InChI: InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKey: CCLYWHXHYLQWQK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)O)F)Cl
CACTVS 3.385Oc1c(F)ccc(Cl)c1F
Name:3-chloranyl-2,6-bis(fluoranyl)phenol
ZINC: ZINC000002381671
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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