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BioLiP

PDB CCD ID: 5WK
Number of entries in BioLiP: 1
Chemical formula: C11 H8 F4 N2 O
InChI: InChI=1S/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17)
InChIKey: AZBWBPKELVSJMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F
OpenEye OEToolkits 2.0.4c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O
Name:2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
ChEMBL: CHEMBL1312571
ZINC: ZINC000013122690
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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