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BioLiP

PDB CCD ID: TZ9
Number of entries in BioLiP: 5
Chemical formula: C9 H6 F2 O
InChI: InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2
InChIKey: DRQKJKGKLYCHHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(c2c1C=CCO2)F)F
ACDLabs 12.01
CACTVS 3.385		Fc1cc(F)c2OCC=Cc2c1
Name:6,8-bis(fluoranyl)chromene
ZINC: ZINC000039941619
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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