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BioLiP

PDB CCD ID: PWA
Number of entries in BioLiP: 5
Chemical formula: C8 H5 F N2 O
InChI: InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKey: KCORZHJVTZIZFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)N=CNC2=O
CACTVS 3.385Fc1ccc2C(=O)NC=Nc2c1
ACDLabs 12.01N1C(c2c(N=C1)cc(cc2)F)=O
Name:7-fluoroquinazolin-4(3H)-one
ChEMBL: CHEMBL1949849
ZINC: ZINC000002548718
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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