
 CHEMBL427527

 65 69  0  0  0  0  0  0  0  0999 V2000
    0.9730    0.1291   -0.2167 C   0  0  0  0  0
    2.4335    0.0033   -0.5310 C   0  0  0  0  0
    3.2365   -0.9019    0.1563 C   0  0  0  0  0
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    4.8840    1.5418   -2.9759 C   0  0  0  0  0
    6.6033   -0.3541   -1.4655 N   0  0  0  0  0
    7.4345   -1.5188   -1.4572 C   0  0  0  0  0
    7.1268   -2.8359   -1.7270 C   0  0  0  0  0
    8.1619   -3.7788   -1.6421 C   0  0  0  0  0
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    9.8018   -2.0594   -1.0679 C   0  0  0  0  0
    8.7692   -1.1614   -1.1656 C   0  0  0  0  0
    8.7417    0.2192   -1.0783 N   0  0  0  0  0
    7.4772    0.6988   -1.3098 C   0  0  0  0  0
    7.4714    2.0058   -1.3895 N   0  0  0  0  0
    8.8120    2.3785   -1.2199 C   0  0  0  0  0
    9.5868    1.2676   -0.8579 C   0  0  0  0  0
   10.9876    1.1702   -0.3707 C   0  0  0  0  0
   11.0580    0.6582    1.0170 N   0  0  0  0  0
   12.4545    0.5436    1.4762 C   0  0  0  0  0
   13.2617   -0.4040    0.6384 C   0  0  0  0  0
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   10.2593    1.5202    1.9577 C   0  0  0  0  0
   10.4331    1.3488    3.4869 C   0  0  0  0  0
    9.3453    2.1048    4.2470 C   0  0  0  0  0
    8.1165    1.5785    4.0235 F   0  0  0  0  0
    9.5514    2.0828    5.5856 F   0  0  0  0  0
    9.2897    3.4068    3.8728 F   0  0  0  0  0
   10.4236    0.0294    3.8227 F   0  0  0  0  0
   11.6629    1.8276    3.8447 F   0  0  0  0  0
    9.2801    3.7916   -1.4225 C   0  0  0  0  0
    9.8493    4.2972   -0.2970 F   0  0  0  0  0
   10.2362    3.8494   -2.3923 F   0  0  0  0  0
    8.2957    4.6460   -1.7951 F   0  0  0  0  0
    5.3783   -1.9472    0.8002 C   0  0  0  0  0
    0.6807    1.1831   -0.1673 H   0  0  0  0  0
    0.7347   -0.3196    0.7537 H   0  0  0  0  0
    0.3782   -0.3742   -0.9850 H   0  0  0  0  0
    2.7917   -1.5136    0.9405 H   0  0  0  0  0
    2.3933    1.4919   -2.0750 H   0  0  0  0  0
    4.0894    1.7451   -3.7031 H   0  0  0  0  0
    5.6997    1.0764   -3.5355 H   0  0  0  0  0
    5.2126    2.5007   -2.5638 H   0  0  0  0  0
    6.1237   -3.1340   -2.0065 H   0  0  0  0  0
    7.9471   -4.8263   -1.8441 H   0  0  0  0  0
   10.2539   -4.1572   -1.2400 H   0  0  0  0  0
   10.8155   -1.7648   -0.8306 H   0  0  0  0  0
   11.4725    2.1532   -0.4309 H   0  0  0  0  0
   11.5312    0.5133   -1.0581 H   0  0  0  0  0
   12.4720    0.1147    2.4835 H   0  0  0  0  0
   12.9309    1.5308    1.5275 H   0  0  0  0  0
   12.7177   -1.3090    0.3963 H   0  0  0  0  0
   14.5017    1.1727   -0.3696 H   0  0  0  0  0
   14.4515   -0.4178   -1.2511 H   0  0  0  0  0
   15.1290   -1.6022    0.8660 H   0  0  0  0  0
   15.1685   -0.0123    1.7470 H   0  0  0  0  0
    9.2016    1.3349    1.7376 H   0  0  0  0  0
   10.4740    2.5729    1.7303 H   0  0  0  0  0
    6.3846   -1.5788    1.0152 H   0  0  0  0  0
    5.4188   -2.9511    0.3696 H   0  0  0  0  0
    4.8824   -2.0330    1.7743 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 43  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 44  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 15  1  0  0  0
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 29 32  1  0  0  0
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 35 38  1  0  0  0
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 39 63  1  0  0  0
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 39 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL427527

>  <PubChem CID>
20780065

>  <Formula>
C27H26F8N4

>  <Molecular Weight>
558.520000

>  <IUPAC Name>
N-(cyclopropylmethyl)-2,2,3,3,3-pentafluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)N2C3=CC=CC=C3N4C2=NC(=C4CN(CC5CC5)CC(C(F)(F)F)(F)F)C(F)(F)F)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)N2C3=CC=CC=C3N4C2=NC(=C4CN(CC5CC5)CC(C(F)(F)F)(F)F)C(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C27H26F8N4/c1-15-10-16(2)22(17(3)11-15)39-20-7-5-4-6-19(20)38-21(23(26(30,31)32)36-24(38)39)13-37(12-18-8-9-18)14-25(28,29)27(33,34)35/h4-7,10-11,18H,8-9,12-14H2,1-3H3

>  <InChI Key>
AUMRIJMIWHTOMW-UHFFFAOYSA-N

