
 CHEMBL1083320

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.5722   -0.6425   -0.3323 C   0  0  0  0  0
    2.0419   -0.3817   -0.4714 C   0  0  0  0  0
    2.5105    0.7907   -1.0596 C   0  0  0  0  0
    3.8907    1.0461   -1.2008 C   0  0  0  0  0
    4.8464    0.1232   -0.6945 C   0  0  0  0  0
    4.3559   -1.0302   -0.0187 C   0  0  0  0  0
    2.9697   -1.2790    0.0516 C   0  0  0  0  0
    5.2368   -2.0348    0.6822 C   0  0  0  0  0
    6.2415    0.3496   -0.8527 N   0  0  0  0  0
    7.2234   -0.5478   -1.3403 C   0  0  0  0  0
    8.4541   -0.0339   -1.1813 C   0  0  0  0  0
    8.2602    1.2144   -0.6291 N   0  0  0  0  0
    6.9212    1.4708   -0.4534 C   0  0  0  0  0
    6.7148    2.6953   -0.0401 N   0  0  0  0  0
    7.9954    3.2753    0.0085 C   0  0  0  0  0
    8.9770    2.3131   -0.2620 C   0  0  0  0  0
   10.4608    2.3845   -0.2843 C   0  0  0  0  0
   11.0251    2.6754    1.0542 N   0  0  0  0  0
   10.8603    1.5219    1.9724 C   0  0  0  0  0
   10.6007    1.9575    3.4162 C   0  0  0  0  0
   10.3599    0.7653    4.3213 C   0  0  0  0  0
   11.4103    0.5669    5.1494 F   0  0  0  0  0
    9.2686    0.9596    5.0946 F   0  0  0  0  0
   10.1686   -0.3812    3.6333 F   0  0  0  0  0
   12.4509    3.0176    0.8590 C   0  0  0  0  0
   13.1191    3.5568    2.0852 C   0  0  0  0  0
   14.1148    2.7327    2.8681 C   0  0  0  0  0
   14.5939    3.8781    2.0248 C   0  0  0  0  0
    8.1938    4.7448    0.2572 C   0  0  0  0  0
    8.4946    5.0199    1.5551 F   0  0  0  0  0
    9.2122    5.2461   -0.4968 F   0  0  0  0  0
    7.0967    5.4812   -0.0595 F   0  0  0  0  0
    6.8492   -1.9553   -2.2043 Cl  0  0  0  0  0
    4.2668    2.3396   -1.8774 C   0  0  0  0  0
    0.3517   -1.7036   -0.4904 H   0  0  0  0  0
   -0.0016   -0.0778   -1.0746 H   0  0  0  0  0
    0.2329   -0.3528    0.6669 H   0  0  0  0  0
    1.7920    1.5205   -1.4306 H   0  0  0  0  0
    2.6126   -2.1810    0.5473 H   0  0  0  0  0
    4.7637   -2.3697    1.6122 H   0  0  0  0  0
    6.2022   -1.6132    0.9721 H   0  0  0  0  0
    5.3900   -2.9151    0.0513 H   0  0  0  0  0
    9.4155   -0.4163   -1.4775 H   0  0  0  0  0
   10.7224    3.1902   -0.9832 H   0  0  0  0  0
   10.9003    1.4657   -0.6921 H   0  0  0  0  0
   11.7121    0.8342    1.9111 H   0  0  0  0  0
    9.9870    0.9315    1.6766 H   0  0  0  0  0
    9.7302    2.6235    3.4504 H   0  0  0  0  0
   11.4422    2.5272    3.8208 H   0  0  0  0  0
   12.5236    3.8129    0.1061 H   0  0  0  0  0
   13.0035    2.1560    0.4607 H   0  0  0  0  0
   12.5016    4.2799    2.6079 H   0  0  0  0  0
   14.3475    1.7285    2.5328 H   0  0  0  0  0
   14.1463    2.8552    3.9451 H   0  0  0  0  0
   14.9376    4.7743    2.5298 H   0  0  0  0  0
   15.1422    3.6477    1.1180 H   0  0  0  0  0
    5.1694    2.2341   -2.4853 H   0  0  0  0  0
    4.4040    3.1275   -1.1301 H   0  0  0  0  0
    3.4756    2.6671   -2.5616 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
  6  8  1  0  0  0
  7 39  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 25  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 24  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 27 54  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 34 57  1  0  0  0
 34 58  1  0  0  0
 34 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1083320

>  <PubChem CID>
46891210

>  <Formula>
C23H25ClF6N4

>  <Molecular Weight>
506.921000

>  <IUPAC Name>
N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)-3,3,3-trifluoropropan-1-amine

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)N2C(=CN3C2=NC(=C3CN(CCC(F)(F)F)CC4CC4)C(F)(F)F)Cl)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)N2C(=CN3C2=NC(=C3CN(CCC(F)(F)F)CC4CC4)C(F)(F)F)Cl)C

>  <InChI Std. ID>
InChI=1S/C23H25ClF6N4/c1-13-8-14(2)19(15(3)9-13)34-18(24)12-33-17(20(23(28,29)30)31-21(33)34)11-32(10-16-4-5-16)7-6-22(25,26)27/h8-9,12,16H,4-7,10-11H2,1-3H3

>  <InChI Key>
BAXPFBZZMCCNTO-UHFFFAOYSA-N

