
 CHEMBL609769

 59 61  0  0  0  0  0  0  0  0999 V2000
    9.3962   12.3116    5.0280 C   0  0  0  0  0
    9.2144   11.1239    4.0966 C   0  0  0  0  0
    7.9837   10.2977    4.4758 C   0  0  0  0  0
    7.7073    9.1421    3.5090 C   0  0  0  0  0
    8.8111    8.0835    3.5047 C   0  0  0  0  0
    8.4804    6.9333    2.5518 C   0  0  0  0  0
    9.6283    5.9226    2.5067 C   0  0  0  0  0
    9.4029    4.7793    1.5129 C   0  0  0  0  0
    9.2828    5.2228    0.0557 C   0  0  0  0  0
   10.4393    5.9853   -0.3736 N   0  0  0  0  0
   10.3282    7.1966   -1.0261 C   0  0  0  0  0
    9.2524    7.7312   -1.2856 O   0  0  0  0  0
   11.6733    7.8159   -1.4234 C   0  0  0  0  0
   11.5242    8.9824   -2.4076 C   0  0  0  0  0
   12.8701    9.6593   -2.2311 C   0  0  0  0  0
   12.9894    9.5899   -0.6985 C   0  0  0  0  0
   12.4325    8.3048   -0.2986 O   0  0  0  0  0
   14.3316    9.7424   -0.1766 N   0  0  0  0  0
   14.9826    8.9286    0.7094 C   0  0  0  0  0
   16.1763    9.3889    1.0227 N   0  0  0  0  0
   16.3009   10.5615    0.3083 C   0  0  0  0  0
   15.1608   10.8020   -0.4397 C   0  0  0  0  0
   14.9257   11.8474   -1.2500 N   0  0  0  0  0
   15.9676   12.7049   -1.2428 C   0  0  0  0  0
   17.1299   12.6047   -0.5631 N   0  0  0  0  0
   17.3274   11.5178    0.2200 C   0  0  0  0  0
   18.5262   11.4182    0.9136 N   0  0  0  0  0
   13.8672    8.8860   -2.9094 O   0  0  0  0  0
   10.5136    9.9276   -2.0418 O   0  0  0  0  0
   10.2938   12.8749    4.7515 H   0  0  0  0  0
    9.5094   11.9818    6.0662 H   0  0  0  0  0
    8.5385   12.9899    4.9732 H   0  0  0  0  0
   10.1179   10.5078    4.1443 H   0  0  0  0  0
    9.1187   11.4848    3.0661 H   0  0  0  0  0
    7.1030   10.9514    4.4889 H   0  0  0  0  0
    8.1006    9.9045    5.4929 H   0  0  0  0  0
    7.5692    9.5390    2.4961 H   0  0  0  0  0
    6.7594    8.6704    3.7955 H   0  0  0  0  0
    8.9547    7.6937    4.5198 H   0  0  0  0  0
    9.7595    8.5344    3.1919 H   0  0  0  0  0
    8.2946    7.3447    1.5547 H   0  0  0  0  0
    7.5608    6.4323    2.8745 H   0  0  0  0  0
    9.7635    5.4903    3.5065 H   0  0  0  0  0
   10.5670    6.4383    2.2661 H   0  0  0  0  0
    8.5017    4.2219    1.7926 H   0  0  0  0  0
   10.2451    4.0818    1.6018 H   0  0  0  0  0
    8.3617    5.7910   -0.1054 H   0  0  0  0  0
    9.2306    4.3379   -0.5896 H   0  0  0  0  0
   11.3596    5.5921   -0.2269 H   0  0  0  0  0
   12.2780    7.0224   -1.8845 H   0  0  0  0  0
   11.3315    8.6316   -3.4267 H   0  0  0  0  0
   12.8886   10.6846   -2.6134 H   0  0  0  0  0
   12.3766   10.3634   -0.2164 H   0  0  0  0  0
   14.5405    8.0201    1.0980 H   0  0  0  0  0
   15.8604   13.5896   -1.8620 H   0  0  0  0  0
   18.9617   12.3195    1.0444 H   0  0  0  0  0
   18.4693   10.8040    1.7191 H   0  0  0  0  0
   14.6857    9.4177   -2.9130 H   0  0  0  0  0
    9.6817    9.4201   -1.9022 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 49  1  0  0  0
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 11 12  2  0  0  0
 13 17  1  0  0  0
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 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL609769

>  <PubChem CID>
46875268

>  <Formula>
C19H30N6O4

>  <Molecular Weight>
406.487000

>  <IUPAC Name>
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-nonyloxolane-2-carboxamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCCCCCCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

>  <Isomeric SMILES>
CCCCCCCCCNC(=O)[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=CN=C3N)O)O

>  <InChI Std. ID>
InChI=1S/C19H30N6O4/c1-2-3-4-5-6-7-8-9-21-18(28)15-13(26)14(27)19(29-15)25-11-24-12-16(20)22-10-23-17(12)25/h10-11,13-15,19,26-27H,2-9H2,1H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1

>  <InChI Key>
VAZUKUKQSVLTGE-FRLFKWGPSA-N

