
 CHEMBL3902181

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.3453    0.4738   -3.1248 C   0  0  0  0  0
    2.2538    0.7228   -1.6182 C   0  0  0  0  0
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    8.3866    3.7693   -0.6937 C   0  0  0  0  0
    7.2603    4.4446   -0.0353 N   0  0  0  0  0
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    6.9491    0.3173   -0.6189 N   0  0  0  0  0
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    5.6114   -1.6869   -0.5733 N   0  0  0  0  0
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    6.8117   -2.3025   -1.1886 C   0  0  0  0  0
    8.0233   -3.1894    1.2527 O   0  0  0  0  0
    9.1138   -3.8010    1.7864 C   0  0  0  0  0
    9.8100   -3.0604    2.7486 C   0  0  0  0  0
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    9.6073   -5.0464    1.4154 C   0  0  0  0  0
   12.5646   -5.3972    3.5124 O   0  0  0  0  0
   13.4894   -4.5435    4.1794 C   0  0  0  0  0
    9.3589   -1.8493    3.1165 F   0  0  0  0  0
    3.3286    0.7564   -3.5151 H   0  0  0  0  0
    1.5906    1.0584   -3.6619 H   0  0  0  0  0
    2.1867   -0.5841   -3.3639 H   0  0  0  0  0
    2.3464    1.7986   -1.4277 H   0  0  0  0  0
    0.6896   -0.7574   -1.2556 H   0  0  0  0  0
    0.0869    0.8756   -1.6015 H   0  0  0  0  0
    0.7984    0.5075   -0.0224 H   0  0  0  0  0
    3.4169   -0.9932   -1.2871 H   0  0  0  0  0
    8.6410    2.1199    0.6810 H   0  0  0  0  0
    9.1039    1.7547   -0.9878 H   0  0  0  0  0
    9.3407    4.1783   -0.3399 H   0  0  0  0  0
    8.3509    3.9225   -1.7809 H   0  0  0  0  0
    5.8451    4.3394   -1.6258 H   0  0  0  0  0
    5.1563    4.3411    0.0102 H   0  0  0  0  0
    8.2889    6.2546    0.2982 H   0  0  0  0  0
    6.5376    6.3873    0.3582 H   0  0  0  0  0
    7.3550    6.2194   -1.2124 H   0  0  0  0  0
    4.5237   -1.5672    1.2468 H   0  0  0  0  0
    6.2645   -1.3339    1.4431 H   0  0  0  0  0
    5.6425   -3.4835    2.3407 H   0  0  0  0  0
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   11.1493   -6.5201    1.7420 H   0  0  0  0  0
    9.1329   -5.6406    0.6425 H   0  0  0  0  0
   14.3628   -5.1444    4.4504 H   0  0  0  0  0
   13.0657   -4.1413    5.1054 H   0  0  0  0  0
   13.8286   -3.7386    3.5177 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
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 26 27  1  0  0  0
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 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3902181

>  <PubChem CID>
118159150

>  <Formula>
C23H32FN5O2

>  <Molecular Weight>
429.540000

>  <IUPAC Name>
2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CCN(C2)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)OC)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)OC)F

>  <InChI Std. ID>
InChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-19-9-10-28(3)14-20(19)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26)

>  <InChI Key>
DFMRQAQETRMYOT-UHFFFAOYSA-N

