
 CHEMBL1088624

 64 67  0  0  0  0  0  0  0  0999 V2000
    0.6456    0.0345    0.4626 C   0  0  0  0  0
    2.1204    0.1740    0.6931 C   0  0  0  0  0
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    6.3666    0.3669    1.2889 N   0  0  0  0  0
    6.9770   -0.9293    1.6053 C   0  0  0  0  0
    8.2281   -1.1664    0.7721 C   0  0  0  0  0
    9.1945   -0.0100    0.9531 C   0  0  0  0  0
    8.5271    1.2687    0.8399 N   0  0  0  0  0
    7.1806    1.4494    1.0879 C   0  0  0  0  0
    6.8934    2.7272    1.0439 N   0  0  0  0  0
    8.0496    3.3948    0.6466 C   0  0  0  0  0
    9.0768    2.4732    0.4647 C   0  0  0  0  0
   10.4658    2.6579   -0.0558 C   0  0  0  0  0
   11.2498    3.6018    0.7500 N   0  0  0  0  0
   11.5481    3.0835    2.1006 C   0  0  0  0  0
   11.9170    4.2100    3.0651 C   0  0  0  0  0
   10.7553    5.0928    3.5983 C   0  0  0  0  0
   11.4791    5.1003    4.9587 C   0  0  0  0  0
   12.1348    3.7705    4.5375 C   0  0  0  0  0
   12.5073    3.9628    0.0151 C   0  0  0  0  0
   13.4690    2.8658   -0.5103 C   0  0  0  0  0
   13.1596    2.5247   -1.7834 F   0  0  0  0  0
   14.7471    3.3008   -0.5015 F   0  0  0  0  0
   13.4250    1.7346    0.2252 F   0  0  0  0  0
    8.0771    4.8790    0.4158 C   0  0  0  0  0
    8.7996    5.5421    1.3563 F   0  0  0  0  0
    8.6311    5.1901   -0.7905 F   0  0  0  0  0
    6.8369    5.4414    0.4192 F   0  0  0  0  0
    4.5763   -0.7884    3.4032 C   0  0  0  0  0
    0.3306    0.5434   -0.4537 H   0  0  0  0  0
    0.0876    0.4725    1.2973 H   0  0  0  0  0
    0.3785   -1.0227    0.3679 H   0  0  0  0  0
    2.0727   -0.8624    2.5660 H   0  0  0  0  0
    2.4861    1.2737   -1.1095 H   0  0  0  0  0
    4.5132    1.6365   -2.0726 H   0  0  0  0  0
    6.0275    1.0962   -1.3806 H   0  0  0  0  0
    5.2919    2.6583   -0.8708 H   0  0  0  0  0
    7.2453   -0.9557    2.6684 H   0  0  0  0  0
    6.2957   -1.7664    1.4089 H   0  0  0  0  0
    7.9518   -1.2550   -0.2871 H   0  0  0  0  0
    8.7087   -2.1039    1.0657 H   0  0  0  0  0
    9.9793   -0.0815    0.1975 H   0  0  0  0  0
    9.6565   -0.0325    1.9457 H   0  0  0  0  0
   10.3620    3.0514   -1.0765 H   0  0  0  0  0
   10.9923    1.7048   -0.1509 H   0  0  0  0  0
   12.3505    2.3388    2.0790 H   0  0  0  0  0
   10.6755    2.5640    2.5138 H   0  0  0  0  0
   12.7670    4.8134    2.7201 H   0  0  0  0  0
    9.7794    4.5944    3.6266 H   0  0  0  0  0
   10.6437    6.0697    3.1203 H   0  0  0  0  0
   12.1891    5.9266    5.0747 H   0  0  0  0  0
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   11.5647    2.8839    4.8393 H   0  0  0  0  0
   13.0933    4.6548    0.6307 H   0  0  0  0  0
   12.2111    4.5715   -0.8506 H   0  0  0  0  0
    5.3630   -0.1579    3.8252 H   0  0  0  0  0
    4.9354   -1.8131    3.2825 H   0  0  0  0  0
    3.7685   -0.8063    4.1401 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
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  7 39  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
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  9 10  1  0  0  0
  9 14  1  0  0  0
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 34 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1088624

>  <PubChem CID>
21916306

>  <Formula>
C24H30F6N4

>  <Molecular Weight>
488.522000

>  <IUPAC Name>
N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[[2-(trifluoromethyl)-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]ethanamine

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)N2CCCN3C2=NC(=C3CN(CC4CCC4)CC(F)(F)F)C(F)(F)F)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)N2CCCN3C2=NC(=C3CN(CC4CCC4)CC(F)(F)F)C(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C24H30F6N4/c1-15-10-16(2)20(17(3)11-15)34-9-5-8-33-19(21(24(28,29)30)31-22(33)34)13-32(14-23(25,26)27)12-18-6-4-7-18/h10-11,18H,4-9,12-14H2,1-3H3

>  <InChI Key>
AWFSLBIGRQUCJP-UHFFFAOYSA-N

