
 SCHEMBL155519

 55 60  0  0  0  0  0  0  0  0999 V2000
    1.1836    0.3722    0.0659 C   0  0  0  0  0
    2.5972    0.0907    0.0082 N   0  0  0  0  0
    3.1887   -1.1305   -0.1484 C   0  0  0  0  0
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    4.3188   -3.8109    0.9977 C   0  0  0  0  0
    3.6671   -3.5700   -0.3747 C   0  0  0  0  0
    2.5480   -2.4710   -0.3331 C   0  0  0  0  0
    4.8220   -3.1062   -1.1924 N   0  0  0  0  0
    4.8157    0.4102    0.1048 C   0  0  0  0  0
    3.5771    1.0484    0.1571 C   0  0  0  0  0
    3.3524    2.3644    0.3451 N   0  0  0  0  0
    4.4686    3.0983    0.5929 C   0  0  0  0  0
    5.7578    2.5546    0.5686 C   0  0  0  0  0
    5.9535    1.1982    0.3008 C   0  0  0  0  0
    4.2847    4.5059    0.8198 N   0  0  0  0  0
    3.2269    5.1654    0.2019 C   0  0  0  0  0
    3.0390    6.4827    0.3350 C   0  0  0  0  0
    3.9288    7.2662    1.1507 C   0  0  0  0  0
    4.9141    6.6600    1.8264 C   0  0  0  0  0
    5.1397    5.1932    1.6914 C   0  0  0  0  0
    6.0454    4.7120    2.3724 O   0  0  0  0  0
    3.6462    8.6071    1.1143 O   0  0  0  0  0
    4.5852    9.5034    1.7120 C   0  0  0  0  0
    4.3268   10.8741    1.1487 C   0  0  0  0  0
    5.2820   11.4959    0.3354 C   0  0  0  0  0
    5.0493   12.7433   -0.2298 C   0  0  0  0  0
    3.8426   13.3784    0.0232 C   0  0  0  0  0
    2.8743   12.7901    0.8311 C   0  0  0  0  0
    3.1146   11.5366    1.3957 C   0  0  0  0  0
    3.6032   14.5789   -0.5222 F   0  0  0  0  0
    6.4472   10.8851    0.0845 F   0  0  0  0  0
    0.6122   -0.5338   -0.1465 H   0  0  0  0  0
    0.9481    1.1360   -0.6795 H   0  0  0  0  0
    0.9453    0.7305    1.0713 H   0  0  0  0  0
    6.4700   -1.8274   -0.6720 H   0  0  0  0  0
    6.4678   -3.5721    1.0055 H   0  0  0  0  0
    5.6194   -2.3007    1.9040 H   0  0  0  0  0
    3.6497   -3.5651    1.8288 H   0  0  0  0  0
    4.6143   -4.8612    1.1052 H   0  0  0  0  0
    3.2432   -4.4980   -0.7729 H   0  0  0  0  0
    2.0010   -2.4762   -1.2833 H   0  0  0  0  0
    1.8408   -2.6800    0.4768 H   0  0  0  0  0
    5.4572   -3.8896   -1.3364 H   0  0  0  0  0
    6.6357    3.1762    0.7110 H   0  0  0  0  0
    6.9521    0.7773    0.2655 H   0  0  0  0  0
    2.5757    4.5722   -0.4357 H   0  0  0  0  0
    2.2270    6.9849   -0.1823 H   0  0  0  0  0
    5.6067    7.1663    2.4840 H   0  0  0  0  0
    5.6158    9.2036    1.4899 H   0  0  0  0  0
    4.4478    9.5135    2.7998 H   0  0  0  0  0
    5.7954   13.2085   -0.8626 H   0  0  0  0  0
    1.9361   13.3072    1.0078 H   0  0  0  0  0
    2.3499   11.0687    2.0128 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 42  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
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 31 55  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL155519

>  <PubChem CID>
50902098

>  <Formula>
C25H22F2N4O2

>  <Molecular Weight>
448.474000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=C(C3CCC(C2)N3)C4=C1N=C(C=C4)N5C=CC(=CC5=O)OCC6=C(C=C(C=C6)F)F

>  <Isomeric SMILES>
CN1C2=C(C3CCC(C2)N3)C4=C1N=C(C=C4)N5C=CC(=CC5=O)OCC6=C(C=C(C=C6)F)F

>  <InChI Std. ID>
InChI=1S/C25H22F2N4O2/c1-30-21-11-16-4-6-20(28-16)24(21)18-5-7-22(29-25(18)30)31-9-8-17(12-23(31)32)33-13-14-2-3-15(26)10-19(14)27/h2-3,5,7-10,12,16,20,28H,4,6,11,13H2,1H3

>  <InChI Key>
ANPVUPBHIBDWBO-UHFFFAOYSA-N

