
 CHEMBL1086142

 58 60  0  0  0  0  0  0  0  0999 V2000
    2.6358   -0.8640    2.4313 C   0  0  0  0  0
    3.6353   -0.3413    1.4119 C   0  0  0  0  0
    4.2285    1.0084    1.8304 C   0  0  0  0  0
    5.2708    1.4799    0.8006 C   0  0  0  0  0
    5.9418    2.7561    1.1564 N   0  0  0  0  0
    6.8681    2.5362    2.2906 C   0  0  0  0  0
    6.8194    3.6808    3.2960 C   0  0  0  0  0
    6.6490    3.2477   -0.0515 C   0  0  0  0  0
    7.2166    4.6175    0.0902 C   0  0  0  0  0
    8.4732    5.0737    0.5224 C   0  0  0  0  0
    8.5235    6.4735    0.5010 N   0  0  0  0  0
    7.4115    6.8333   -0.0785 C   0  0  0  0  0
    6.6012    5.7570   -0.3504 N   0  0  0  0  0
    5.5018    6.1514   -1.0834 C   0  0  0  0  0
    5.6507    7.4796   -1.2695 C   0  0  0  0  0
    6.8141    7.9469   -0.6144 N   0  0  0  0  0
    7.3193    9.2758   -0.5062 C   0  0  0  0  0
    8.6815    9.5741   -0.7985 C   0  0  0  0  0
    9.1845   10.8795   -0.6184 C   0  0  0  0  0
    8.3630   11.9298   -0.2221 C   0  0  0  0  0
    7.0256   11.6562    0.0505 C   0  0  0  0  0
    6.4987   10.3497   -0.0529 C   0  0  0  0  0
    5.0604   10.1980    0.3737 C   0  0  0  0  0
    8.9226   13.3050   -0.0139 C   0  0  0  0  0
    9.6809    8.5516   -1.2792 C   0  0  0  0  0
    4.7462    8.4195   -2.3485 Cl  0  0  0  0  0
    9.6797    4.2746    0.9329 C   0  0  0  0  0
   10.8402    4.8273    0.4913 F   0  0  0  0  0
    9.7836    4.1463    2.2800 F   0  0  0  0  0
    9.6498    3.0119    0.4228 F   0  0  0  0  0
    2.2374   -1.8311    2.1078 H   0  0  0  0  0
    1.7961   -0.1723    2.5490 H   0  0  0  0  0
    3.1081   -1.0038    3.4090 H   0  0  0  0  0
    3.1410   -0.2453    0.4384 H   0  0  0  0  0
    4.4392   -1.0782    1.2955 H   0  0  0  0  0
    4.6677    0.9008    2.8273 H   0  0  0  0  0
    3.4291    1.7547    1.9133 H   0  0  0  0  0
    4.7313    1.6081   -0.1473 H   0  0  0  0  0
    6.0194    0.6937    0.6329 H   0  0  0  0  0
    7.8926    2.3603    1.9485 H   0  0  0  0  0
    6.6184    1.6296    2.8527 H   0  0  0  0  0
    7.0448    4.6513    2.8504 H   0  0  0  0  0
    7.5554    3.5064    4.0885 H   0  0  0  0  0
    5.8323    3.7475    3.7644 H   0  0  0  0  0
    5.9386    3.2742   -0.8890 H   0  0  0  0  0
    7.4330    2.5429   -0.3549 H   0  0  0  0  0
    4.7770    5.4670   -1.4857 H   0  0  0  0  0
   10.2407   11.0730   -0.8012 H   0  0  0  0  0
    6.3794   12.4676    0.3838 H   0  0  0  0  0
    4.8269    9.1854    0.7099 H   0  0  0  0  0
    4.3914   10.4857   -0.4431 H   0  0  0  0  0
    4.8439   10.8550    1.2242 H   0  0  0  0  0
    8.1914   14.0695   -0.2959 H   0  0  0  0  0
    9.8143   13.4652   -0.6293 H   0  0  0  0  0
    9.1943   13.4432    1.0375 H   0  0  0  0  0
    9.2140    7.7762   -1.8920 H   0  0  0  0  0
   10.2012    8.1037   -0.4271 H   0  0  0  0  0
   10.4380    9.0222   -1.9169 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
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 11 12  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1086142

>  <PubChem CID>
21916321

>  <Formula>
C22H28ClF3N4

>  <Molecular Weight>
440.939000

>  <IUPAC Name>
N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethylbutan-1-amine

>  <XlogP>
7.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCN(CC)CC1=C(N=C2N1C=C(N2C3=C(C=C(C=C3C)C)C)Cl)C(F)(F)F

>  <Isomeric SMILES>
CCCCN(CC)CC1=C(N=C2N1C=C(N2C3=C(C=C(C=C3C)C)C)Cl)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H28ClF3N4/c1-6-8-9-28(7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h10-11,13H,6-9,12H2,1-5H3

>  <InChI Key>
ALENSGWGHGELMK-UHFFFAOYSA-N

