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BioLiP Library

PDB CCD ID: W0I
Number of entries in BioLiP: 8
Chemical formula: C18 H21 F O2
InChI: InChI=1S/C18H21FO2/c1-2-3-4-6-9-14-12-17(20)18(13-16(14)19)21-15-10-7-5-8-11-15/h5,7-8,10-13,20H,2-4,6,9H2,1H3
InChIKey: GYPLPHKUBOKVOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc2cc(Oc1ccccc1)c(O)cc2CCCCCC
OpenEye OEToolkits 1.7.6CCCCCCc1cc(c(cc1F)Oc2ccccc2)O
CACTVS 3.385CCCCCCc1cc(O)c(Oc2ccccc2)cc1F
Name:4-fluoro-5-hexyl-2-phenoxyphenol
ZINC: ZINC000221482572
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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