
 CHEMBL245671

 64 68  0  0  0  0  0  0  0  0999 V2000
    0.9492    3.8306   -1.1016 C   0  0  0  0  0
    2.4375    3.5913   -1.3167 C   0  0  0  0  0
    3.2814    4.3770   -0.3018 C   0  0  0  0  0
    4.7451    4.2899   -0.5305 N   0  0  0  0  0
    5.4447    5.2294    0.3719 C   0  0  0  0  0
    5.1898    6.6553   -0.0322 C   0  0  0  0  0
    4.4322    7.5947    0.8743 C   0  0  0  0  0
    5.9123    7.7664    0.6905 C   0  0  0  0  0
    5.2200    2.9057   -0.3383 C   0  0  0  0  0
    6.6882    2.7518   -0.5428 C   0  0  0  0  0
    7.7167    2.3909    0.3430 C   0  0  0  0  0
    8.9556    2.4183   -0.3129 N   0  0  0  0  0
    8.6853    2.7286   -1.5529 C   0  0  0  0  0
    7.3381    2.9443   -1.7272 N   0  0  0  0  0
    7.0594    3.2774   -3.0386 C   0  0  0  0  0
    8.2965    3.2408   -3.7053 C   0  0  0  0  0
    9.3362    2.9098   -2.7416 N   0  0  0  0  0
   10.7423    2.8433   -2.9614 C   0  0  0  0  0
   11.4199    3.8656   -3.6837 C   0  0  0  0  0
   12.7914    3.7384   -3.9873 C   0  0  0  0  0
   13.5411    2.6579   -3.5329 C   0  0  0  0  0
   12.9036    1.6834   -2.7700 C   0  0  0  0  0
   11.5205    1.7480   -2.4914 C   0  0  0  0  0
   10.9554    0.6091   -1.6809 C   0  0  0  0  0
   14.9937    2.5470   -3.8848 C   0  0  0  0  0
   10.7592    5.1354   -4.1587 C   0  0  0  0  0
    8.3958    3.4788   -5.0212 N   0  0  0  0  0
    7.2365    3.8021   -5.6502 C   0  0  0  0  0
    5.9853    3.8792   -5.0299 C   0  0  0  0  0
    5.8817    3.5966   -3.6712 C   0  0  0  0  0
    7.6319    2.0049    1.7960 C   0  0  0  0  0
    7.8964    0.6846    1.9830 F   0  0  0  0  0
    8.5021    2.7012    2.5717 F   0  0  0  0  0
    6.3960    2.2238    2.3217 F   0  0  0  0  0
    0.3647    3.2521   -1.8240 H   0  0  0  0  0
    0.6979    4.8881   -1.2322 H   0  0  0  0  0
    0.6441    3.5254   -0.0954 H   0  0  0  0  0
    2.6996    3.8932   -2.3367 H   0  0  0  0  0
    2.6220    2.5156   -1.2313 H   0  0  0  0  0
    3.0334    4.0477    0.7159 H   0  0  0  0  0
    2.9633    5.4234   -0.3796 H   0  0  0  0  0
    6.5295    5.1027    0.2964 H   0  0  0  0  0
    5.1750    5.0490    1.4204 H   0  0  0  0  0
    5.0964    6.7738   -1.1068 H   0  0  0  0  0
    4.0832    7.2290    1.8332 H   0  0  0  0  0
    3.7758    8.3236    0.4133 H   0  0  0  0  0
    6.2591    8.6083    0.1015 H   0  0  0  0  0
    6.5647    7.5096    1.5177 H   0  0  0  0  0
    4.7382    2.2375   -1.0616 H   0  0  0  0  0
    4.9274    2.5407    0.6518 H   0  0  0  0  0
   13.2815    4.5113   -4.5784 H   0  0  0  0  0
   13.4841    0.8407   -2.3969 H   0  0  0  0  0
   10.9103    0.8851   -0.6236 H   0  0  0  0  0
   11.5907   -0.2804   -1.7542 H   0  0  0  0  0
    9.9682    0.3080   -2.0420 H   0  0  0  0  0
   15.4775    1.7264   -3.3447 H   0  0  0  0  0
   15.5206    3.4710   -3.6250 H   0  0  0  0  0
   15.1057    2.3600   -4.9578 H   0  0  0  0  0
    9.9288    5.4335   -3.5129 H   0  0  0  0  0
   10.4179    5.0255   -5.1917 H   0  0  0  0  0
   11.4702    5.9696   -4.1315 H   0  0  0  0  0
    7.3394    4.0152   -6.7120 H   0  0  0  0  0
    5.1084    4.1576   -5.6061 H   0  0  0  0  0
    4.9315    3.6482   -3.1606 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  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  9 10  1  0  0  0
  9 49  1  0  0  0
  9 50  1  0  0  0
 10 11  2  0  0  0
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 26 60  1  0  0  0
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 28 29  1  0  0  0
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 30 64  1  0  0  0
 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL245671

>  <PubChem CID>
21916343

>  <Formula>
C26H30F3N5

>  <Molecular Weight>
469.556000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCN(CC1CC1)CC2=C(N=C3N2C4=C(N3C5=C(C=C(C=C5C)C)C)N=CC=C4)C(F)(F)F

>  <Isomeric SMILES>
CCCN(CC1CC1)CC2=C(N=C3N2C4=C(N3C5=C(C=C(C=C5C)C)C)N=CC=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H30F3N5/c1-5-11-32(14-19-8-9-19)15-21-23(26(27,28)29)31-25-33(21)20-7-6-10-30-24(20)34(25)22-17(3)12-16(2)13-18(22)4/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3

>  <InChI Key>
AZRZXCRQDGIRRE-UHFFFAOYSA-N

