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BioLiP

PDB CCD ID: F3B
Number of entries in BioLiP: 1
Chemical formula: C6 Cl3 F3
InChI: InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey: QPXZZPSKCVNHFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Fc1c(Cl)c(F)c(Cl)c(F)c1Cl
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F
ACDLabs 10.04Clc1c(F)c(Cl)c(F)c(Cl)c1F
Name:1,3,5-trichloro-2,4,6-trifluorobenzene
ZINC: ZINC000001701567
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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