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BioLiP

PDB CCD ID: PCI
Number of entries in BioLiP: 30
Chemical formula: C6 H Cl5 O
InChI: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey: IZUPBVBPLAPZRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
ACDLabs 10.04Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
CACTVS 3.341Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Name:PENTACHLOROPHENOL
ChEMBL: CHEMBL75967
ZINC: ZINC000001529471
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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