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BioLiP Library

PDB CCD ID: 69K
Number of entries in BioLiP: 3
Chemical formula: C14 H14 F N O2
InChI: InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
InChIKey: VHXDJFGLVVJBNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCc1cc(c(cc1F)Oc2cccnc2C)O
CACTVS 3.385CCc1cc(O)c(Oc2cccnc2C)cc1F
ACDLabs 12.01Cc1ncccc1Oc2cc(F)c(cc2O)CC
Name:5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
ZINC: ZINC000584904870
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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