
 SCHEMBL606075

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.4069    1.8014   -1.9909 C   0  0  0  0  0
    2.4559    1.1160   -1.2469 N   0  0  0  0  0
    2.1314    0.9926    0.1796 C   0  0  0  0  0
    3.2872    0.3451    0.9364 C   0  0  0  0  0
    2.9648    0.6518    2.3967 C   0  0  0  0  0
    2.1987    1.9099    2.3833 N   0  0  0  0  0
    1.9562    2.3004    0.9798 C   0  0  0  0  0
    2.7649    2.9162    3.1837 C   0  0  0  0  0
    3.5830    3.8081    2.5953 N   0  0  0  0  0
    4.0660    4.8003    3.3344 C   0  0  0  0  0
    3.8322    4.9657    4.6281 N   0  0  0  0  0
    3.0253    4.0620    5.2244 C   0  0  0  0  0
    2.4602    2.9877    4.5434 C   0  0  0  0  0
    1.5474    1.9977    5.2252 C   0  0  0  0  0
    2.2925    0.8134    5.8504 C   0  0  0  0  0
    2.8027    1.0224    7.2798 C   0  0  0  0  0
    3.7976    2.1701    7.4529 C   0  0  0  0  0
    3.1082    3.4933    7.6948 C   0  0  0  0  0
    2.7920    3.8484    9.0209 C   0  0  0  0  0
    2.1525    5.0527    9.3108 C   0  0  0  0  0
    1.8213    5.9231    8.2812 C   0  0  0  0  0
    2.1247    5.5823    6.9628 C   0  0  0  0  0
    2.7589    4.3638    6.6416 C   0  0  0  0  0
    4.9117    5.7020    2.7197 N   0  0  0  0  0
    1.6698    1.8168   -3.0536 H   0  0  0  0  0
    1.2891    2.8399   -1.6654 H   0  0  0  0  0
    0.4475    1.2832   -1.8956 H   0  0  0  0  0
    3.3279    1.6363   -1.3535 H   0  0  0  0  0
    1.2370    0.3662    0.2996 H   0  0  0  0  0
    4.2452    0.8099    0.6696 H   0  0  0  0  0
    3.3699   -0.7303    0.7499 H   0  0  0  0  0
    2.3270   -0.1373    2.8119 H   0  0  0  0  0
    3.8864    0.6938    2.9895 H   0  0  0  0  0
    0.9446    2.7047    0.8651 H   0  0  0  0  0
    2.6669    3.0454    0.6016 H   0  0  0  0  0
    0.9124    2.4950    5.9689 H   0  0  0  0  0
    0.8325    1.6082    4.4891 H   0  0  0  0  0
    1.6005   -0.0380    5.8823 H   0  0  0  0  0
    3.1312    0.5010    5.2196 H   0  0  0  0  0
    3.3072    0.0934    7.5766 H   0  0  0  0  0
    1.9504    1.1372    7.9612 H   0  0  0  0  0
    4.4945    2.2288    6.6086 H   0  0  0  0  0
    4.4321    1.9547    8.3235 H   0  0  0  0  0
    3.0482    3.1805    9.8413 H   0  0  0  0  0
    1.9185    5.3115   10.3395 H   0  0  0  0  0
    1.3289    6.8673    8.4976 H   0  0  0  0  0
    1.8619    6.2763    6.1648 H   0  0  0  0  0
    5.5140    6.1164    3.4180 H   0  0  0  0  0
    5.3563    5.2580    1.9296 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  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
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 12 23  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
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 14 37  1  0  0  0
 15 16  1  0  0  0
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 15 39  1  0  0  0
 16 17  1  0  0  0
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 18 19  2  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
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 21 22  1  0  0  0
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 22 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL606075

>  <PubChem CID>
44568791

>  <Formula>
C19H25N5

>  <Molecular Weight>
323.444000

>  <IUPAC Name>


>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1CCN(C1)C2=NC(=NC3=C2CCCCC4=CC=CC=C43)N

>  <Isomeric SMILES>
CN[C@@H]1CCN(C1)C2=NC(=NC3=C2CCCCC4=CC=CC=C43)N

>  <InChI Std. ID>
InChI=1S/C19H25N5/c1-21-14-10-11-24(12-14)18-16-9-5-3-7-13-6-2-4-8-15(13)17(16)22-19(20)23-18/h2,4,6,8,14,21H,3,5,7,9-12H2,1H3,(H2,20,22,23)/t14-/m1/s1

>  <InChI Key>
IMUKTYZKCHNGJE-CQSZACIVSA-N

