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BioLiP

PDB CCD ID: CW6
Number of entries in BioLiP: 1
Chemical formula: C15 H15 F O2
InChI: InChI=1S/C15H15FO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3
InChIKey: XMEGCBLYVCFWLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O
CACTVS 3.385CC(C)(c1ccc(O)cc1)c2ccc(O)c(F)c2
Name:2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
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)(download the PDF file).
  • 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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