
 CHEMBL3912262

 72 76  0  0  0  0  0  0  0  0999 V2000
    2.5605    1.7638   -3.0897 C   0  0  0  0  0
    2.2863    1.5440   -1.6016 C   0  0  0  0  0
    0.8111    1.2139   -1.3813 C   0  0  0  0  0
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    6.3323   -3.9779    5.7696 C   0  0  0  0  0
    6.2649   -3.4731    4.4697 C   0  0  0  0  0
    6.2850   -5.8338    7.2214 F   0  0  0  0  0
    5.8617   -6.5774    2.6024 F   0  0  0  0  0
    3.6121    2.0034   -3.2776 H   0  0  0  0  0
    1.9601    2.5964   -3.4726 H   0  0  0  0  0
    2.3164    0.8717   -3.6763 H   0  0  0  0  0
    2.4744    2.4771   -1.0546 H   0  0  0  0  0
    0.5185    0.3025   -1.9126 H   0  0  0  0  0
    0.1763    2.0347   -1.7331 H   0  0  0  0  0
    0.6033    1.0626   -0.3164 H   0  0  0  0  0
    3.0941   -0.4033   -1.6283 H   0  0  0  0  0
    8.4329    1.8224    1.3548 H   0  0  0  0  0
    9.0938    0.9538   -0.0384 H   0  0  0  0  0
    9.8104    3.3385    0.0429 H   0  0  0  0  0
    8.9539    2.9485   -1.4541 H   0  0  0  0  0
    6.5638    3.9861   -1.7676 H   0  0  0  0  0
    5.7597    4.4284   -0.2473 H   0  0  0  0  0
    8.5134    5.3478   -1.6477 H   0  0  0  0  0
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    6.9185    5.8102    1.6799 H   0  0  0  0  0
    6.2599    7.3629    1.2247 H   0  0  0  0  0
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    9.2195    6.8369    1.8772 H   0  0  0  0  0
    9.1105    9.4454   -0.6724 H   0  0  0  0  0
    9.8745    7.9024   -0.2837 H   0  0  0  0  0
    6.9108    8.4177   -0.9342 H   0  0  0  0  0
    8.0419    7.5949   -1.9896 H   0  0  0  0  0
    3.2870   -1.2631    0.9131 H   0  0  0  0  0
    4.8093   -1.4167    1.8015 H   0  0  0  0  0
    3.4157   -3.3784    2.1677 H   0  0  0  0  0
    3.1998   -3.6323    0.4312 H   0  0  0  0  0
    4.8808   -5.2058    1.2509 H   0  0  0  0  0
    6.7739   -4.5467   -0.2383 H   0  0  0  0  0
    5.1967   -4.3100   -1.0098 H   0  0  0  0  0
    6.9528   -2.2125    0.3436 H   0  0  0  0  0
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    5.9569   -7.2858    5.0824 H   0  0  0  0  0
    6.4934   -3.3156    6.6149 H   0  0  0  0  0
    6.3829   -2.4050    4.2981 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3912262

>  <PubChem CID>
118180374

>  <Formula>
C26H36F2N6O2

>  <Molecular Weight>
502.611000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CCN(C2)CN3CCOCC3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)F)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)CN3CCOCC3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C26H36F2N6O2/c1-18(2)29-25-26(34-9-5-20(6-10-34)36-24-4-3-19(27)15-21(24)28)31-22-7-8-33(16-23(22)30-25)17-32-11-13-35-14-12-32/h3-4,15,18,20H,5-14,16-17H2,1-2H3,(H,29,30)

>  <InChI Key>
AHDDMTURJWVYRT-UHFFFAOYSA-N

