
 CHEMBL135410

 46 48  0  0  0  0  0  0  0  0999 V2000
   -1.1399    0.3291   -1.2933 C   0  0  0  0  0
    0.2455    0.2181   -0.8448 N   0  0  0  0  0
    1.0055    1.4695   -0.9883 C   0  0  0  0  0
    1.2623    1.8446   -2.4600 C   0  0  0  0  0
    1.8353    0.7164   -3.3137 C   0  0  0  0  0
    1.2402   -0.6498   -2.9791 C   0  0  0  0  0
    0.9710   -0.8901   -1.4813 C   0  0  0  0  0
    2.2438   -1.1480   -0.6550 C   0  0  0  0  0
    3.1205    0.0931   -0.4660 C   0  0  0  0  0
    2.2918    1.3437   -0.1502 C   0  0  0  0  0
    4.1139   -0.1435    0.5792 N   0  0  0  0  0
    5.3823    0.3880    0.5287 C   0  0  0  0  0
    5.8115    1.0179   -0.4330 O   0  0  0  0  0
    6.2788    0.1284    1.6837 C   0  0  0  0  0
    7.6580    0.1385    1.4477 C   0  0  0  0  0
    8.5357   -0.1220    2.4948 C   0  0  0  0  0
    8.0152   -0.3681    3.7687 C   0  0  0  0  0
    6.6909   -0.3736    4.0193 N   0  0  0  0  0
    5.8469   -0.1240    2.9846 C   0  0  0  0  0
    4.4889   -0.1206    3.2425 O   0  0  0  0  0
    4.1643   -0.3043    4.6180 C   0  0  0  0  0
    8.8280   -0.6914    4.8548 N   0  0  0  0  0
   10.2328   -0.1209    2.1877 Cl  0  0  0  0  0
   -1.6575    1.1178   -0.7357 H   0  0  0  0  0
   -1.6805   -0.6009   -1.0868 H   0  0  0  0  0
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    0.3150    2.1668   -2.9115 H   0  0  0  0  0
    1.9270    2.7153   -2.5154 H   0  0  0  0  0
    2.9235    0.6866   -3.2121 H   0  0  0  0  0
    1.6615    0.9388   -4.3739 H   0  0  0  0  0
    1.8942   -1.4362   -3.3747 H   0  0  0  0  0
    0.2932   -0.7498   -3.5251 H   0  0  0  0  0
    0.3697   -1.8059   -1.3993 H   0  0  0  0  0
    1.9413   -1.5267    0.3321 H   0  0  0  0  0
    2.8353   -1.9517   -1.1113 H   0  0  0  0  0
    3.6826    0.2659   -1.3860 H   0  0  0  0  0
    2.0070    1.3199    0.9117 H   0  0  0  0  0
    2.9115    2.2414   -0.2700 H   0  0  0  0  0
    3.7845   -0.5161    1.4642 H   0  0  0  0  0
    8.0399    0.3347    0.4481 H   0  0  0  0  0
    3.0754   -0.2443    4.7131 H   0  0  0  0  0
    4.5954    0.4878    5.2392 H   0  0  0  0  0
    4.4749   -1.2951    4.9675 H   0  0  0  0  0
    8.2528   -0.7413    5.6900 H   0  0  0  0  0
    9.6158   -0.0590    4.9469 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
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 16 23  1  0  0  0
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 17 22  1  0  0  0
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 19 20  1  0  0  0
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 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL135410

>  <PubChem CID>
11724735

>  <Formula>
C16H23ClN4O2

>  <Molecular Weight>
338.836000

>  <IUPAC Name>
6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C2CCCC1CC(C2)NC(=O)C3=CC(=C(N=C3OC)N)Cl

>  <Isomeric SMILES>
CN1C2CCCC1CC(C2)NC(=O)C3=CC(=C(N=C3OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C16H23ClN4O2/c1-21-10-4-3-5-11(21)7-9(6-10)19-15(22)12-8-13(17)14(18)20-16(12)23-2/h8-11H,3-7H2,1-2H3,(H2,18,20)(H,19,22)

>  <InChI Key>
BCLLSLQFCCDNIE-UHFFFAOYSA-N

