
 CHEMBL355350

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.5421    1.2084    2.1068 C   0  0  0  0  0
    1.3612    0.4384    0.8079 C   0  0  0  0  0
    2.1282    1.0524   -0.3661 C   0  0  0  0  0
    3.6380    1.0102   -0.2848 C   0  0  0  0  0
    4.3184    2.2461   -0.2045 C   0  0  0  0  0
    5.7052    2.3099   -0.1727 C   0  0  0  0  0
    6.4065    1.1663   -0.1751 N   0  0  0  0  0
    5.7675   -0.0575   -0.2364 N   0  0  0  0  0
    4.4160   -0.1519   -0.2952 C   0  0  0  0  0
    3.9367   -1.5503   -0.3393 C   0  0  0  0  0
    4.4973   -2.5096    0.5289 C   0  0  0  0  0
    4.1002   -3.8503    0.5013 C   0  0  0  0  0
    3.1219   -4.2635   -0.3961 C   0  0  0  0  0
    2.5579   -3.3416   -1.2724 C   0  0  0  0  0
    2.9733   -2.0036   -1.2553 C   0  0  0  0  0
    6.3306    3.5583   -0.0335 N   0  0  0  0  0
    7.7758    3.5402   -0.2804 C   0  0  0  0  0
    8.3526    4.9711   -0.1439 C   0  0  0  0  0
    7.6131    5.9980   -0.9139 N   0  0  0  0  0
    7.9745    7.3639   -0.4658 C   0  0  0  0  0
    9.3476    7.8499   -0.9594 C   0  0  0  0  0
    9.4368    7.7827   -2.3871 O   0  0  0  0  0
    9.2082    6.4446   -2.8429 C   0  0  0  0  0
    7.8418    5.9127   -2.3736 C   0  0  0  0  0
    0.9075    0.7765    2.8877 H   0  0  0  0  0
    1.2584    2.2581    1.9848 H   0  0  0  0  0
    2.5784    1.1658    2.4538 H   0  0  0  0  0
    0.2934    0.4414    0.5544 H   0  0  0  0  0
    1.6388   -0.6071    0.9679 H   0  0  0  0  0
    1.7966    2.0941   -0.4765 H   0  0  0  0  0
    1.8133    0.5771   -1.3009 H   0  0  0  0  0
    3.7545    3.1741   -0.1648 H   0  0  0  0  0
    5.2723   -2.2120    1.2360 H   0  0  0  0  0
    4.5633   -4.5669    1.1744 H   0  0  0  0  0
    2.8113   -5.3051   -0.4221 H   0  0  0  0  0
    1.8029   -3.6648   -1.9856 H   0  0  0  0  0
    2.5458   -1.3276   -1.9895 H   0  0  0  0  0
    5.8914    4.2731   -0.6108 H   0  0  0  0  0
    7.9866    3.1539   -1.2851 H   0  0  0  0  0
    8.2826    2.8948    0.4474 H   0  0  0  0  0
    9.4187    4.9572   -0.3980 H   0  0  0  0  0
    8.2881    5.2267    0.9223 H   0  0  0  0  0
    7.9193    7.4408    0.6268 H   0  0  0  0  0
    7.2078    8.0456   -0.8554 H   0  0  0  0  0
    9.4928    8.8960   -0.6705 H   0  0  0  0  0
   10.1669    7.2702   -0.5188 H   0  0  0  0  0
    9.2364    6.4647   -3.9373 H   0  0  0  0  0
   10.0304    5.8046   -2.5048 H   0  0  0  0  0
    7.0613    6.5191   -2.8518 H   0  0  0  0  0
    7.6914    4.8918   -2.7393 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL355350

>  <PubChem CID>
14700605

>  <Formula>
C19H26N4O

>  <Molecular Weight>
326.444000

>  <IUPAC Name>
N-(2-morpholin-4-ylethyl)-6-phenyl-5-propylpyridazin-3-amine

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=CC(=NN=C1C2=CC=CC=C2)NCCN3CCOCC3

>  <Isomeric SMILES>
CCCC1=CC(=NN=C1C2=CC=CC=C2)NCCN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C19H26N4O/c1-2-6-17-15-18(20-9-10-23-11-13-24-14-12-23)21-22-19(17)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,20,21)

>  <InChI Key>
AVESSXICDLPQQI-UHFFFAOYSA-N

