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BioLiP

PDB CCD ID: A1D5M
Number of entries in BioLiP: 2
Chemical formula: C19 H16 F2 O4
InChI: InChI=1S/C19H16F2O4/c20-19(21)25-15-6-4-13(8-18(15)23-10-11-1-2-11)16-7-12-3-5-14(22)9-17(12)24-16/h3-9,11,19,22H,1-2,10H2
InChIKey: ZEGKNTXODOVPOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2cc(oc2c1)c3ccc(OC(F)F)c(OCC4CC4)c3
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(o2)c3ccc(c(c3)OCC4CC4)OC(F)F)O
Name:2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-1-benzofuran-6-ol
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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