
 CHEMBL1204083

 42 44  0  0  0  0  0  0  0  0999 V2000
   -1.3067    0.6742   -2.0167 C   0  0  0  0  0
   -1.6725   -0.7593   -2.4162 C   0  0  0  0  0
   -0.8052   -1.7724   -1.6533 C   0  0  0  0  0
   -0.9134   -1.5210   -0.2198 N   0  0  0  0  0
   -0.6060   -0.1678    0.2359 C   0  0  0  0  0
   -1.4842    0.8454   -0.5032 C   0  0  0  0  0
   -1.3988   -2.4959    0.7234 C   0  0  0  0  0
   -2.1694   -2.0419    1.7587 N   0  0  0  0  0
   -2.6268   -2.8889    2.7002 C   0  0  0  0  0
   -3.3896   -2.5532    3.7553 N   0  0  0  0  0
   -3.6167   -3.6627    4.4446 N   0  0  0  0  0
   -3.0016   -4.6996    3.8356 C   0  0  0  0  0
   -2.3560   -4.2238    2.6981 C   0  0  0  0  0
   -1.5708   -4.7834    1.6793 C   0  0  0  0  0
   -1.0555   -3.9049    0.6710 C   0  0  0  0  0
   -0.0687   -4.4663   -0.3502 C   0  0  0  0  0
    0.5035   -5.7539    0.0721 N   0  0  0  0  0
   -0.5713   -6.6905    0.3717 C   0  0  0  0  0
   -1.2559   -6.2608    1.6636 C   0  0  0  0  0
   -3.0408   -6.0220    4.3411 N   0  0  0  0  0
    2.6158    1.8753    1.4129 Cl  0  0  0  0  0
   -0.2510    0.8838   -2.2980 H   0  0  0  0  0
   -1.9614    1.3927   -2.5548 H   0  0  0  0  0
   -1.5420   -0.8976   -3.5111 H   0  0  0  0  0
   -2.7424   -0.9383   -2.1678 H   0  0  0  0  0
   -1.1896   -2.7572   -1.9461 H   0  0  0  0  0
    0.2563   -1.6663   -1.9663 H   0  0  0  0  0
   -0.7446   -0.0487    1.3319 H   0  0  0  0  0
    0.4625    0.0475    0.0156 H   0  0  0  0  0
   -2.5495    0.6740   -0.2324 H   0  0  0  0  0
   -1.2068    1.8782   -0.2018 H   0  0  0  0  0
   -4.1801   -3.7033    5.3228 H   0  0  0  0  0
   -0.5545   -4.6068   -1.3354 H   0  0  0  0  0
    0.7825   -3.7594   -0.4491 H   0  0  0  0  0
    1.0760   -6.1324   -0.7185 H   0  0  0  0  0
   -0.1779   -7.7235    0.4904 H   0  0  0  0  0
   -1.3057   -6.7029   -0.4674 H   0  0  0  0  0
   -0.5984   -6.4735    2.5341 H   0  0  0  0  0
   -2.1850   -6.8643    1.7322 H   0  0  0  0  0
   -3.5666   -6.2201    5.2044 H   0  0  0  0  0
   -2.5373   -6.7927    3.8909 H   0  0  0  0  0
    3.4426    2.3023    0.3998 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
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 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1204083

>  <PubChem CID>
49861361

>  <Formula>
C14H21ClN6

>  <Molecular Weight>
308.814000

>  <IUPAC Name>
5-piperidin-1-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2=NC3=NNC(=C3C4=C2CNCC4)N.Cl

>  <Isomeric SMILES>
C1CCN(CC1)C2=NC3=NNC(=C3C4=C2CNCC4)N.Cl

>  <InChI Std. ID>
InChI=1S/C14H20N6.ClH/c15-12-11-9-4-5-16-8-10(9)14(17-13(11)19-18-12)20-6-2-1-3-7-20;/h16H,1-8H2,(H3,15,17,18,19);1H

>  <InChI Key>
FBJBOPYFCQOHQL-UHFFFAOYSA-N

