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BioLiP

PDB CCD ID: 06R
Number of entries in BioLiP: 2
Chemical formula: C15 H9 F3 N2 O
InChI: InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
InChIKey: LSKQRMBPLLMJRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F
CACTVS 3.385FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Name:2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
ChEMBL: CHEMBL2419892
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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