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BioLiP

PDB CCD ID: JBQ
Number of entries in BioLiP: 3
Chemical formula: C8 H7 F N2 O
InChI: InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1
InChIKey: VBPXEKJPOHSJCA-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)F)C(NC=N2)O
CACTVS 3.385O[CH]1NC=Nc2cccc(F)c12
CACTVS 3.385O[C@@H]1NC=Nc2cccc(F)c12
Name:5-fluoranyl-3,4-dihydroquinazolin-4-ol
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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