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BioLiP

PDB CCD ID: EXD
Number of entries in BioLiP: 2
Chemical formula: C8 H5 F3 N2 O
InChI: InChI=1S/C8H5F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3,14H,(H,12,13)
InChIKey: LHFTYTVRWFFRAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc2nc([nH]c12)C(F)(F)F
ACDLabs 12.01c1c(c2nc(C(F)(F)F)nc2cc1)O
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F
Name:2-(trifluoromethyl)-1H-benzimidazol-7-ol
ChEMBL: CHEMBL4078742
ZINC: ZINC000076214064
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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