
 CHEMBL186203

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.2381    1.6394    3.9437 C   0  0  0  0  0
    3.3837    1.2637    2.4785 C   0  0  0  0  0
    4.1938    2.3096    1.7129 C   0  0  0  0  0
    4.3687    1.9025    0.2491 C   0  0  0  0  0
    5.1871    2.8700   -0.4864 N   0  0  0  0  0
    4.6263    3.5910   -1.6282 C   0  0  0  0  0
    4.1173    4.9709   -1.2397 C   0  0  0  0  0
    6.5267    3.0481   -0.1558 C   0  0  0  0  0
    6.9435    4.2229    0.4659 C   0  0  0  0  0
    8.2710    4.3672    0.8552 C   0  0  0  0  0
    9.2112    3.4169    0.6396 N   0  0  0  0  0
    8.8475    2.2851   -0.0040 C   0  0  0  0  0
    7.5054    2.0679   -0.3809 C   0  0  0  0  0
    7.1447    0.8772   -1.0293 N   0  0  0  0  0
    7.9750   -0.2032   -1.0873 C   0  0  0  0  0
    7.6031   -1.2598   -1.5961 O   0  0  0  0  0
    9.3159   -0.0610   -0.3793 C   0  0  0  0  0
    9.8322    1.3232   -0.3705 N   0  0  0  0  0
   11.2351    1.5128   -0.3922 C   0  0  0  0  0
   11.8558    2.6475   -0.9743 C   0  0  0  0  0
   13.2521    2.7937   -0.9862 C   0  0  0  0  0
   14.0613    1.7962   -0.4605 C   0  0  0  0  0
   13.4920    0.6575    0.0921 C   0  0  0  0  0
   12.0988    0.5281    0.1374 C   0  0  0  0  0
   15.7724    1.9538   -0.5232 Cl  0  0  0  0  0
   10.9812    3.8563   -1.8644 Cl  0  0  0  0  0
    8.7149    5.6430    1.5113 C   0  0  0  0  0
    2.6658    0.8736    4.4760 H   0  0  0  0  0
    2.7147    2.5943    4.0529 H   0  0  0  0  0
    4.2178    1.7267    4.4243 H   0  0  0  0  0
    2.3894    1.1581    2.0295 H   0  0  0  0  0
    3.8773    0.2869    2.4077 H   0  0  0  0  0
    5.1720    2.4239    2.1948 H   0  0  0  0  0
    3.6956    3.2848    1.7683 H   0  0  0  0  0
    3.3778    1.8217   -0.2151 H   0  0  0  0  0
    4.8070    0.9002    0.1943 H   0  0  0  0  0
    3.7913    3.0181   -2.0490 H   0  0  0  0  0
    5.3657    3.6788   -2.4349 H   0  0  0  0  0
    3.5313    4.9418   -0.3169 H   0  0  0  0  0
    3.4871    5.3800   -2.0360 H   0  0  0  0  0
    4.9465    5.6708   -1.0958 H   0  0  0  0  0
    6.2310    5.0100    0.6859 H   0  0  0  0  0
    6.2150    0.8015   -1.4197 H   0  0  0  0  0
   10.0024   -0.7274   -0.9151 H   0  0  0  0  0
    9.1997   -0.4260    0.6501 H   0  0  0  0  0
   13.7028    3.6736   -1.4385 H   0  0  0  0  0
   14.1206   -0.1362    0.4899 H   0  0  0  0  0
   11.7019   -0.3684    0.6077 H   0  0  0  0  0
    9.7359    5.5502    1.8910 H   0  0  0  0  0
    8.0586    5.8877    2.3511 H   0  0  0  0  0
    8.6884    6.4614    0.7848 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  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 46  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL186203

>  <PubChem CID>
11384238

>  <Formula>
C20H24Cl2N4O

>  <Molecular Weight>
407.339000

>  <IUPAC Name>
8-[butyl(ethyl)amino]-4-(2,4-dichlorophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCN(CC)C1=CC(=NC2=C1NC(=O)CN2C3=C(C=C(C=C3)Cl)Cl)C

>  <Isomeric SMILES>
CCCCN(CC)C1=CC(=NC2=C1NC(=O)CN2C3=C(C=C(C=C3)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C20H24Cl2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)

>  <InChI Key>
BVCRBYAZJKJYDA-UHFFFAOYSA-N

