
 CHEMBL1807021

 51 54  0  0  0  0  0  0  0  0999 V2000
    4.8115    0.7153    1.8701 C   0  0  0  0  0
    3.4219    0.5688    1.2497 C   0  0  0  0  0
    3.0577    1.6530    0.2622 C   0  0  0  0  0
    1.7846    1.7706   -0.3110 C   0  0  0  0  0
    1.4413    2.9016   -0.9803 N   0  0  0  0  0
    2.3896    3.8682   -1.1300 C   0  0  0  0  0
    3.7060    3.6933   -0.6832 C   0  0  0  0  0
    4.0187    2.5986    0.0364 N   0  0  0  0  0
    4.6859    4.6617   -0.9459 N   0  0  0  0  0
    6.0687    4.3365   -0.6020 C   0  0  0  0  0
    6.7307    3.6110   -1.7535 C   0  0  0  0  0
    7.7888    2.5678   -1.4656 C   0  0  0  0  0
    6.4814    2.1546   -2.0752 C   0  0  0  0  0
    6.7774    5.6649   -0.3916 C   0  0  0  0  0
    6.9156    6.2544    0.9926 C   0  0  0  0  0
    8.1317    5.7354    0.2729 C   0  0  0  0  0
    1.9132    5.1444   -1.7685 C   0  0  0  0  0
    2.1469    5.1825   -3.2669 C   0  0  0  0  0
    0.6606    0.8201   -0.1848 C   0  0  0  0  0
    0.6932   -0.5321   -0.5790 C   0  0  0  0  0
   -0.4313   -1.3585   -0.4380 C   0  0  0  0  0
   -1.6304   -0.8319    0.0326 C   0  0  0  0  0
   -1.7181    0.5134    0.3681 C   0  0  0  0  0
   -0.5825    1.3206    0.2706 C   0  0  0  0  0
   -3.0204   -1.8361    0.1621 Cl  0  0  0  0  0
    2.0592   -1.2400   -1.3768 Cl  0  0  0  0  0
    4.9926   -0.0916    2.5869 H   0  0  0  0  0
    4.9145    1.6676    2.4018 H   0  0  0  0  0
    5.5937    0.6653    1.1049 H   0  0  0  0  0
    2.6843    0.5759    2.0613 H   0  0  0  0  0
    3.3865   -0.4117    0.7742 H   0  0  0  0  0
    4.3939    5.5257   -0.5023 H   0  0  0  0  0
    6.1360    3.7551    0.3259 H   0  0  0  0  0
    6.8829    4.2639   -2.6065 H   0  0  0  0  0
    7.9694    2.2735   -0.4407 H   0  0  0  0  0
    8.6708    2.5512   -2.0939 H   0  0  0  0  0
    6.4711    1.8685   -3.1209 H   0  0  0  0  0
    5.7986    1.5829   -1.4613 H   0  0  0  0  0
    6.6159    6.3504   -1.2209 H   0  0  0  0  0
    6.5572    5.6818    1.8414 H   0  0  0  0  0
    6.8085    7.3254    1.1016 H   0  0  0  0  0
    8.8406    6.4592   -0.1145 H   0  0  0  0  0
    8.5842    4.8180    0.6256 H   0  0  0  0  0
    2.3804    6.0108   -1.2862 H   0  0  0  0  0
    0.8377    5.2499   -1.5760 H   0  0  0  0  0
    3.2127    5.1166   -3.5092 H   0  0  0  0  0
    1.7629    6.1228   -3.6800 H   0  0  0  0  0
    1.6320    4.3566   -3.7689 H   0  0  0  0  0
   -0.3835   -2.4047   -0.7321 H   0  0  0  0  0
   -2.6595    0.9452    0.6900 H   0  0  0  0  0
   -0.6748    2.3812    0.5158 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1807021

>  <PubChem CID>
18449330

>  <Formula>
C21H25Cl2N3

>  <Molecular Weight>
390.352000

>  <IUPAC Name>
5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(N=C(C(=N1)NC(C2CC2)C3CC3)CC)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CCC1=C(N=C(C(=N1)NC(C2CC2)C3CC3)CC)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26)

>  <InChI Key>
AHURLKZRJLULLB-UHFFFAOYSA-N

