
 CHEMBL3401195

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.6170    1.1755    0.8245 C   0  0  0  0  0
   -2.6819    0.6153   -0.1095 C   0  0  0  0  0
   -2.7358   -0.8627   -0.1278 N   0  0  0  0  0
   -1.5441   -1.6226   -0.0981 C   0  0  0  0  0
   -1.3828   -2.8127   -0.3314 O   0  0  0  0  0
   -0.3997   -0.8657    0.2001 N   0  0  0  0  0
   -0.3564    0.4518    0.5940 C   0  0  0  0  0
    0.8744    0.8937    0.7421 N   0  0  0  0  0
    1.6845   -0.1916    0.4847 C   0  0  0  0  0
    0.9114   -1.2879    0.1659 C   0  0  0  0  0
    3.1759   -0.0807    0.5477 C   0  0  0  0  0
    3.7707   -1.3219    0.9397 O   0  0  0  0  0
    5.1355   -1.3739    0.9895 C   0  0  0  0  0
    6.0119   -0.3283    0.6959 C   0  0  0  0  0
    7.3938   -0.5247    0.7878 C   0  0  0  0  0
    7.9044   -1.7630    1.1741 C   0  0  0  0  0
    7.0342   -2.8090    1.4691 C   0  0  0  0  0
    5.6555   -2.6127    1.3759 C   0  0  0  0  0
   -3.9859   -1.4903   -0.5003 C   0  0  0  0  0
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    1.1700   -2.3061   -0.0938 H   0  0  0  0  0
    3.4403    0.6988    1.2725 H   0  0  0  0  0
    3.5305    0.2061   -0.4500 H   0  0  0  0  0
    5.6581    0.6515    0.3937 H   0  0  0  0  0
    8.0731    0.2923    0.5577 H   0  0  0  0  0
    8.9786   -1.9117    1.2457 H   0  0  0  0  0
    7.4250   -3.7767    1.7718 H   0  0  0  0  0
    4.9787   -3.4318    1.6069 H   0  0  0  0  0
   -3.4620   -3.5020    0.1680 H   0  0  0  0  0
   -5.5384   -4.5507   -0.5636 H   0  0  0  0  0
   -7.0300   -0.7837   -1.9238 H   0  0  0  0  0
   -4.9491    0.3123   -1.2798 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3401195

>  <PubChem CID>
68290289

>  <Formula>
C19H16FN3O2

>  <Molecular Weight>
337.354000

>  <IUPAC Name>
6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C(=O)N2C1=NC(=C2)COC3=CC=CC=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(C(=O)N2C1=NC(=C2)COC3=CC=CC=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2

>  <InChI Key>
NLNMCEXQEHYXBB-UHFFFAOYSA-N

