
 CHEMBL248816

 56 58  0  0  0  0  0  0  0  0999 V2000
    3.6127   -0.9351    0.0026 C   0  0  0  0  0
    2.9400   -0.0474   -1.0347 C   0  0  0  0  0
    3.2739    1.4142   -0.8572 C   0  0  0  0  0
    2.2798    2.4026   -0.6872 C   0  0  0  0  0
    2.6365    3.7005   -0.6279 N   0  0  0  0  0
    3.9569    4.0127   -0.6576 C   0  0  0  0  0
    4.9228    3.0157   -0.7209 C   0  0  0  0  0
    4.6053    1.7141   -0.8996 N   0  0  0  0  0
    6.2637    3.3065   -0.6103 O   0  0  0  0  0
    6.6731    3.6021    0.6891 C   0  0  0  0  0
    7.8199    4.3799    0.8463 C   0  0  0  0  0
    8.2094    4.6941    2.1535 C   0  0  0  0  0
    7.4495    4.2496    3.2324 C   0  0  0  0  0
    6.3240    3.4916    2.9713 C   0  0  0  0  0
    5.9197    3.1651    1.7290 N   0  0  0  0  0
    8.6267    4.8526   -0.3225 C   0  0  0  0  0
    4.2773    5.4814   -0.6739 C   0  0  0  0  0
    4.0654    6.0771   -2.0595 C   0  0  0  0  0
    0.9312    2.0587   -0.5337 N   0  0  0  0  0
   -0.0917    3.0877   -0.2661 C   0  0  0  0  0
    0.1885    3.9248    1.0029 C   0  0  0  0  0
   -1.0056    4.7663    1.4415 C   0  0  0  0  0
   -0.4619    3.8240   -1.5457 C   0  0  0  0  0
   -1.3870    3.2430   -2.4316 C   0  0  0  0  0
   -1.7209    3.8703   -3.6331 C   0  0  0  0  0
   -1.1296    5.0842   -3.9724 C   0  0  0  0  0
   -0.2113    5.6737   -3.1083 C   0  0  0  0  0
    0.1167    5.0493   -1.9036 C   0  0  0  0  0
    3.3319   -1.9810   -0.1600 H   0  0  0  0  0
    3.3108   -0.6545    1.0169 H   0  0  0  0  0
    4.7039   -0.8696   -0.0574 H   0  0  0  0  0
    1.8623   -0.2298   -0.9926 H   0  0  0  0  0
    3.2633   -0.3492   -2.0384 H   0  0  0  0  0
    9.0976    5.2927    2.3390 H   0  0  0  0  0
    7.7305    4.4866    4.2527 H   0  0  0  0  0
    5.6941    3.1191    3.7750 H   0  0  0  0  0
    7.9773    5.2091   -1.1283 H   0  0  0  0  0
    9.2574    4.0418   -0.6978 H   0  0  0  0  0
    9.2726    5.6915   -0.0410 H   0  0  0  0  0
    5.3024    5.6827   -0.3537 H   0  0  0  0  0
    3.6243    5.9910    0.0447 H   0  0  0  0  0
    4.7261    5.6099   -2.7975 H   0  0  0  0  0
    4.2739    7.1514   -2.0463 H   0  0  0  0  0
    3.0354    5.9398   -2.4028 H   0  0  0  0  0
    0.6546    1.4934   -1.3302 H   0  0  0  0  0
   -0.9877    2.5072   -0.0006 H   0  0  0  0  0
    1.0389    4.6016    0.8846 H   0  0  0  0  0
    0.4504    3.2453    1.8246 H   0  0  0  0  0
   -1.2303    5.5504    0.7121 H   0  0  0  0  0
   -0.7861    5.2570    2.3955 H   0  0  0  0  0
   -1.8990    4.1498    1.5754 H   0  0  0  0  0
   -1.8546    2.2912   -2.1885 H   0  0  0  0  0
   -2.4372    3.4079   -4.3064 H   0  0  0  0  0
   -1.3796    5.5686   -4.9120 H   0  0  0  0  0
    0.2620    6.6154   -3.3736 H   0  0  0  0  0
    0.8503    5.5202   -1.2531 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 23  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
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 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
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 27 55  1  0  0  0
 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL248816

>  <PubChem CID>
44443602

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
3,6-diethyl-5-(3-methylpyridin-2-yl)oxy-N-(1-phenylpropyl)pyrazin-2-amine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=C(N=C(C(=N1)OC2=C(C=CC=N2)C)CC)NC(CC)C3=CC=CC=C3

>  <Isomeric SMILES>
CCC1=C(N=C(C(=N1)OC2=C(C=CC=N2)C)CC)NC(CC)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c1-5-18(17-13-9-8-10-14-17)25-21-19(6-2)27-23(20(7-3)26-21)28-22-16(4)12-11-15-24-22/h8-15,18H,5-7H2,1-4H3,(H,25,26)

>  <InChI Key>
BCBJNWHOTOYKGN-UHFFFAOYSA-N

