
 CHEMBL391170

 67 71  0  0  0  0  0  0  0  0999 V2000
    0.8822    5.4106   -0.0438 C   0  0  0  0  0
    2.3947    5.5019   -0.1972 C   0  0  0  0  0
    3.0572    4.1437    0.0802 C   0  0  0  0  0
    4.5368    4.1874   -0.0023 N   0  0  0  0  0
    5.0905    4.8723    1.1953 C   0  0  0  0  0
    6.3053    5.7635    0.8817 C   0  0  0  0  0
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    7.5436    2.4052    0.5352 C   0  0  0  0  0
    8.7690    2.5065   -0.0993 N   0  0  0  0  0
    8.4834    2.7260   -1.3593 C   0  0  0  0  0
    7.1245    2.8465   -1.5357 N   0  0  0  0  0
    6.8149    3.0078   -2.8715 C   0  0  0  0  0
    8.0475    2.9541   -3.5479 C   0  0  0  0  0
    9.1230    2.8314   -2.5675 N   0  0  0  0  0
   10.5350    2.8673   -2.7910 C   0  0  0  0  0
   11.1127    3.7750   -3.7295 C   0  0  0  0  0
   12.4999    3.7510   -3.9996 C   0  0  0  0  0
   13.3655    2.9139   -3.3063 C   0  0  0  0  0
   12.8271    2.0625   -2.3488 C   0  0  0  0  0
   11.4362    2.0078   -2.0950 C   0  0  0  0  0
   11.0211    1.0031   -1.0508 C   0  0  0  0  0
   14.8317    2.9129   -3.6140 C   0  0  0  0  0
   10.3416    4.8298   -4.4841 C   0  0  0  0  0
    8.1088    2.9820   -4.8884 N   0  0  0  0  0
    6.9234    3.1188   -5.5336 C   0  0  0  0  0
    5.6752    3.2138   -4.9045 C   0  0  0  0  0
    5.6113    3.1483   -3.5163 C   0  0  0  0  0
    7.4850    2.0116    1.9630 C   0  0  0  0  0
    0.4195    6.3819   -0.2452 H   0  0  0  0  0
    0.6103    5.1122    0.9746 H   0  0  0  0  0
    0.4580    4.6801   -0.7399 H   0  0  0  0  0
    2.7584    6.2779    0.4836 H   0  0  0  0  0
    2.6359    5.8308   -1.2147 H   0  0  0  0  0
    2.6710    3.4490   -0.6777 H   0  0  0  0  0
    2.7384    3.7531    1.0560 H   0  0  0  0  0
    5.3225    4.1565    1.9930 H   0  0  0  0  0
    4.3412    5.5316    1.6495 H   0  0  0  0  0
    6.0001    6.5617    0.1947 H   0  0  0  0  0
    7.0977    5.2057    0.3765 H   0  0  0  0  0
    6.0756    6.8471    2.7439 H   0  0  0  0  0
    8.5448    4.9367    2.4023 H   0  0  0  0  0
    8.0681    5.8181    3.9207 H   0  0  0  0  0
    8.2879    8.0056    2.6959 H   0  0  0  0  0
    8.7477    7.1070    1.1815 H   0  0  0  0  0
    4.5260    2.2704   -0.9203 H   0  0  0  0  0
    4.7685    2.2339    0.8079 H   0  0  0  0  0
   12.9085    4.4226   -4.7537 H   0  0  0  0  0
   13.4957    1.4089   -1.7901 H   0  0  0  0  0
   10.9792    1.4823   -0.0669 H   0  0  0  0  0
   11.7528    0.1897   -0.9747 H   0  0  0  0  0
   10.0710    0.5244   -1.2972 H   0  0  0  0  0
   15.4032    2.3912   -2.8391 H   0  0  0  0  0
   15.2127    3.9381   -3.6677 H   0  0  0  0  0
   15.0134    2.4127   -4.5706 H   0  0  0  0  0
    9.4696    5.1826   -3.9289 H   0  0  0  0  0
   10.0505    4.4558   -5.4700 H   0  0  0  0  0
   10.9643    5.7181   -4.6433 H   0  0  0  0  0
    6.9971    3.1573   -6.6189 H   0  0  0  0  0
    4.7747    3.3265   -5.5000 H   0  0  0  0  0
    4.6634    3.2152   -2.9970 H   0  0  0  0  0
    8.4819    1.7665    2.3416 H   0  0  0  0  0
    6.8515    1.1268    2.0860 H   0  0  0  0  0
    7.0774    2.8166    2.5781 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
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 32 66  1  0  0  0
 32 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL391170

>  <PubChem CID>
20780150

>  <Formula>
C27H35N5

>  <Molecular Weight>
429.612000

>  <IUPAC Name>
N-(2-cyclopropylethyl)-N-[[2-methyl-4-(2,4,6-trimethylphenyl)imidazo[1,2]imidazo[2,3-b]pyridin-1-yl]methyl]propan-1-amine

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC1CC1)CC2=C(N=C3N2C4=C(N3C5=C(C=C(C=C5C)C)C)N=CC=C4)C

>  <Isomeric SMILES>
CCCN(CCC1CC1)CC2=C(N=C3N2C4=C(N3C5=C(C=C(C=C5C)C)C)N=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C27H35N5/c1-6-13-30(14-11-22-9-10-22)17-24-21(5)29-27-31(24)23-8-7-12-28-26(23)32(27)25-19(3)15-18(2)16-20(25)4/h7-8,12,15-16,22H,6,9-11,13-14,17H2,1-5H3

>  <InChI Key>
AXPHBYMSNVRSMB-UHFFFAOYSA-N

