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BioLiP

PDB CCD ID: 1Z8
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2
InChI: InChI=1S/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey: WXEWNBPXLKAGHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c2nncc2c1ccccc1
CACTVS 3.385FC(F)(F)c1n[nH]cc1c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2c[nH]nc2C(F)(F)F
Name:4-phenyl-3-(trifluoromethyl)-1H-pyrazole
ZINC: ZINC000000108681
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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