
 CHEMBL400154

 55 56  0  0  0  0  0  0  0  0999 V2000
    1.9694    0.4688   -2.8005 C   0  0  0  0  0
    3.2963    0.8130   -2.1384 C   0  0  0  0  0
    3.1468    0.9057   -0.6197 C   0  0  0  0  0
    4.3935    1.2640    0.0579 N   0  0  0  0  0
    5.1587    0.1449    0.6455 C   0  0  0  0  0
    6.1256   -0.5164   -0.3441 C   0  0  0  0  0
    6.8976   -1.6496    0.3146 C   0  0  0  0  0
    5.0517    2.4823   -0.0374 C   0  0  0  0  0
    4.4935    3.7432   -0.3265 C   0  0  0  0  0
    5.2527    4.8833   -0.4068 N   0  0  0  0  0
    6.5695    4.7846   -0.1439 C   0  0  0  0  0
    7.1412    3.5701    0.1702 C   0  0  0  0  0
    6.3875    2.4403    0.2256 N   0  0  0  0  0
    8.6039    3.4057    0.4751 C   0  0  0  0  0
    9.3502    2.7634   -0.6842 C   0  0  0  0  0
    7.3704    5.9131   -0.1698 O   0  0  0  0  0
    6.7660    7.1485   -0.1812 C   0  0  0  0  0
    7.3539    8.0453   -1.0045 N   0  0  0  0  0
    6.8321    9.2902   -1.0236 C   0  0  0  0  0
    5.7558    9.6941   -0.2486 C   0  0  0  0  0
    5.1741    8.7681    0.6149 C   0  0  0  0  0
    5.7214    7.4848    0.6769 C   0  0  0  0  0
    4.0189    9.1473    1.4894 C   0  0  0  0  0
    3.0275    4.0667   -0.4101 C   0  0  0  0  0
    2.3836    4.0950    0.9702 C   0  0  0  0  0
    2.1076    0.3222   -3.8763 H   0  0  0  0  0
    1.2410    1.2729   -2.6566 H   0  0  0  0  0
    1.5491   -0.4537   -2.3862 H   0  0  0  0  0
    3.6757    1.7513   -2.5561 H   0  0  0  0  0
    4.0227    0.0370   -2.3983 H   0  0  0  0  0
    2.8046   -0.0726   -0.2562 H   0  0  0  0  0
    2.3324    1.5727   -0.3336 H   0  0  0  0  0
    4.4581   -0.6174    1.0108 H   0  0  0  0  0
    5.6924    0.4771    1.5462 H   0  0  0  0  0
    6.8436    0.2069   -0.7427 H   0  0  0  0  0
    5.5810   -0.9180   -1.2032 H   0  0  0  0  0
    7.4229   -1.3022    1.2099 H   0  0  0  0  0
    7.6410   -2.0545   -0.3794 H   0  0  0  0  0
    6.2236   -2.4625    0.6026 H   0  0  0  0  0
    8.7050    2.7728    1.3657 H   0  0  0  0  0
    9.0694    4.3637    0.7295 H   0  0  0  0  0
    8.9535    1.7678   -0.9106 H   0  0  0  0  0
   10.4109    2.6539   -0.4370 H   0  0  0  0  0
    9.2713    3.3708   -1.5919 H   0  0  0  0  0
    7.3185    9.9826   -1.7046 H   0  0  0  0  0
    5.3845   10.7104   -0.3216 H   0  0  0  0  0
    5.3184    6.7513    1.3672 H   0  0  0  0  0
    3.4044    8.2718    1.7269 H   0  0  0  0  0
    3.3688    9.8680    0.9820 H   0  0  0  0  0
    4.3801    9.5883    2.4230 H   0  0  0  0  0
    2.5003    3.4171   -1.1081 H   0  0  0  0  0
    2.9135    5.0700   -0.8448 H   0  0  0  0  0
    2.4287    3.1191    1.4628 H   0  0  0  0  0
    1.3326    4.3898    0.8932 H   0  0  0  0  0
    2.8884    4.8168    1.6230 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL400154

>  <PubChem CID>
44443570

>  <Formula>
C20H30N4O

>  <Molecular Weight>
342.487000

>  <IUPAC Name>
3,6-diethyl-5-(4-methylpyridin-2-yl)oxy-N,N-dipropylpyrazin-2-amine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=C(N=C(C(=N1)CC)OC2=NC=CC(=C2)C)CC

>  <Isomeric SMILES>
CCCN(CCC)C1=C(N=C(C(=N1)CC)OC2=NC=CC(=C2)C)CC

>  <InChI Std. ID>
InChI=1S/C20H30N4O/c1-6-12-24(13-7-2)19-16(8-3)23-20(17(9-4)22-19)25-18-14-15(5)10-11-21-18/h10-11,14H,6-9,12-13H2,1-5H3

>  <InChI Key>
AVHWNDQSZCKEDJ-UHFFFAOYSA-N

