
 CHEMBL1098836

 67 71  0  0  0  0  0  0  0  0999 V2000
    1.9769    1.5279   -1.1968 C   0  0  0  0  0
    3.3396    0.8227   -1.1562 C   0  0  0  0  0
    3.3796   -0.1799    0.0059 C   0  0  0  0  0
    3.5281    0.0567   -2.4801 C   0  0  0  0  0
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    5.4813    1.7902   -1.7272 O   0  0  0  0  0
    4.3645    2.6964    0.0828 N   0  0  0  0  0
    5.3353    3.6363    0.3671 C   0  0  0  0  0
    4.9412    4.8898    0.6252 N   0  0  0  0  0
    6.1016    5.5776    0.6269 N   0  0  0  0  0
    7.2090    4.7976    0.4839 C   0  0  0  0  0
    8.4738    5.2387    0.4246 N   0  0  0  0  0
    9.3985    4.2600    0.2783 C   0  0  0  0  0
    9.0832    2.8819    0.3314 C   0  0  0  0  0
   10.1598    1.8299    0.1021 C   0  0  0  0  0
    9.7942    0.4526    0.5194 N   0  0  0  0  0
    8.4598    0.1150    0.0066 C   0  0  0  0  0
    7.4250    1.0172    0.6666 C   0  0  0  0  0
    7.7270    2.4753    0.4426 C   0  0  0  0  0
    6.7538    3.4937    0.4264 C   0  0  0  0  0
   10.7735   -0.5303    0.0258 C   0  0  0  0  0
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   12.3981   -0.4997    1.9688 C   0  0  0  0  0
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   14.5150    0.1655    0.2783 C   0  0  0  0  0
   13.2341   -0.0106   -0.2455 C   0  0  0  0  0
   10.7392    4.6508    0.0202 N   0  0  0  0  0
   11.4882    4.7922    1.2814 C   0  0  0  0  0
   12.9618    5.0413    0.9470 C   0  0  0  0  0
   13.1235    6.2745    0.0584 C   0  0  0  0  0
   12.2372    6.1717   -1.1814 C   0  0  0  0  0
   10.7869    5.8776   -0.7972 C   0  0  0  0  0
    1.9741    2.3373   -1.9352 H   0  0  0  0  0
    1.7105    1.9627   -0.2277 H   0  0  0  0  0
    1.1776    0.8260   -1.4609 H   0  0  0  0  0
    3.2273    0.3146    0.9716 H   0  0  0  0  0
    4.3495   -0.6888    0.0520 H   0  0  0  0  0
    2.6048   -0.9463   -0.1040 H   0  0  0  0  0
    3.5209    0.7426   -3.3355 H   0  0  0  0  0
    2.7313   -0.6793   -2.6336 H   0  0  0  0  0
    4.4835   -0.4812   -2.5002 H   0  0  0  0  0
    3.4378    3.0411    0.2866 H   0  0  0  0  0
    6.0834    6.5844    0.7263 H   0  0  0  0  0
   10.4074    1.8483   -0.9678 H   0  0  0  0  0
   11.0522    2.1117    0.6657 H   0  0  0  0  0
    8.2089   -0.9231    0.2579 H   0  0  0  0  0
    8.4154    0.2089   -1.0869 H   0  0  0  0  0
    7.4188    0.8413    1.7510 H   0  0  0  0  0
    6.4343    0.7417    0.3096 H   0  0  0  0  0
   10.8103   -0.5234   -1.0716 H   0  0  0  0  0
   10.4527   -1.5421    0.3107 H   0  0  0  0  0
   11.5743   -0.7464    2.6351 H   0  0  0  0  0
   13.8523   -0.4428    3.5567 H   0  0  0  0  0
   15.7356    0.1462    2.0518 H   0  0  0  0  0
   15.3384    0.4282   -0.3805 H   0  0  0  0  0
   13.0744    0.1218   -1.3131 H   0  0  0  0  0
   11.4198    3.8883    1.8970 H   0  0  0  0  0
   11.0943    5.6252    1.8790 H   0  0  0  0  0
   13.5386    5.1703    1.8694 H   0  0  0  0  0
   13.3729    4.1665    0.4267 H   0  0  0  0  0
   12.8520    7.1718    0.6279 H   0  0  0  0  0
   14.1713    6.3875   -0.2407 H   0  0  0  0  0
   12.2872    7.1056   -1.7525 H   0  0  0  0  0
   12.6140    5.3727   -1.8321 H   0  0  0  0  0
   10.3800    6.7410   -0.2533 H   0  0  0  0  0
   10.2024    5.7468   -1.7169 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
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 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1098836

>  <PubChem CID>
46888017

>  <Formula>
C26H34N6O

>  <Molecular Weight>
446.599000

>  <IUPAC Name>
N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)-2,2-dimethylpropanamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C(=O)NC1=NNC2=NC(=C3CN(CCC3=C21)CC4=CC=CC=C4)N5CCCCC5

>  <Isomeric SMILES>
CC(C)(C)C(=O)NC1=NNC2=NC(=C3CN(CCC3=C21)CC4=CC=CC=C4)N5CCCCC5

>  <InChI Std. ID>
InChI=1S/C26H34N6O/c1-26(2,3)25(33)28-23-21-19-12-15-31(16-18-10-6-4-7-11-18)17-20(19)24(27-22(21)29-30-23)32-13-8-5-9-14-32/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3,(H2,27,28,29,30,33)

>  <InChI Key>
BWSSPVMQSGXOPK-UHFFFAOYSA-N

