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BioLiP

PDB CCD ID: 49P
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2 O
InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H
InChIKey: SGZRMGCFXYGLQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cccc(c1)n2ncc(O)c2
CACTVS 3.385Oc1cnn(c1)c2cccc(c2)C(F)(F)F
Name:1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
ChEMBL: CHEMBL3402236
ZINC: ZINC000000168857
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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