
 CHEMBL2059863

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.1964    0.6297   -1.3593 C   0  0  0  0  0
    1.2344    0.1956   -1.5323 C   0  0  0  0  0
    2.3159    1.0934   -1.4311 C   0  0  0  0  0
    3.6225    0.6094   -1.5996 C   0  0  0  0  0
    3.8786   -0.7397   -1.8862 C   0  0  0  0  0
    2.7972   -1.6178   -1.9814 C   0  0  0  0  0
    1.4915   -1.1577   -1.8076 C   0  0  0  0  0
    5.2411   -1.2462   -2.0721 C   0  0  0  0  0
    5.6313   -2.5033   -1.9499 N   0  0  0  0  0
    6.9739   -2.5217   -2.2209 C   0  0  0  0  0
    7.4212   -1.2636   -2.5401 C   0  0  0  0  0
    6.3131   -0.4610   -2.4391 N   0  0  0  0  0
    8.7414   -0.7528   -2.9276 C   0  0  0  0  0
    8.7235   -0.2385   -4.1822 F   0  0  0  0  0
    9.1499    0.2431   -2.1033 F   0  0  0  0  0
    9.6977   -1.7119   -2.9020 F   0  0  0  0  0
    2.0610    2.4542   -1.1298 N   0  0  0  0  0
    2.9564    3.5056   -1.2145 C   0  0  0  0  0
    4.0891    3.4669   -1.6824 O   0  0  0  0  0
    2.4413    4.8137   -0.7277 C   0  0  0  0  0
    1.6318    4.9082    0.4082 C   0  0  0  0  0
    1.2112    6.1652    0.8542 C   0  0  0  0  0
    1.5895    7.3334    0.1819 C   0  0  0  0  0
    2.3858    7.2301   -0.9586 C   0  0  0  0  0
    2.8220    5.9771   -1.4036 C   0  0  0  0  0
    1.1254    8.4863    0.7512 O   0  0  0  0  0
    1.4983    9.7413    0.1746 C   0  0  0  0  0
    0.4675   10.2099   -0.8273 C   0  0  0  0  0
   -0.6547   10.9161   -0.3945 C   0  0  0  0  0
   -1.6040   11.3130   -1.3312 C   0  0  0  0  0
   -1.4214   10.9833   -2.6678 C   0  0  0  0  0
   -0.2840   10.2751   -3.0160 C   0  0  0  0  0
    0.6644    9.8917   -2.1331 N   0  0  0  0  0
   -0.4404    1.4291   -2.0665 H   0  0  0  0  0
   -0.3646    0.9786   -0.3358 H   0  0  0  0  0
   -0.8939   -0.1935   -1.5485 H   0  0  0  0  0
    4.4642    1.2789   -1.4655 H   0  0  0  0  0
    2.9714   -2.6718   -2.1935 H   0  0  0  0  0
    0.6737   -1.8712   -1.8914 H   0  0  0  0  0
    7.5431   -3.4424   -2.1794 H   0  0  0  0  0
    6.2730    0.5331   -2.6230 H   0  0  0  0  0
    1.1010    2.6975   -0.9237 H   0  0  0  0  0
    1.3520    4.0256    0.9762 H   0  0  0  0  0
    0.5924    6.2392    1.7461 H   0  0  0  0  0
    2.6876    8.0984   -1.5356 H   0  0  0  0  0
    3.4606    5.9141   -2.2828 H   0  0  0  0  0
    2.5083    9.7426   -0.2495 H   0  0  0  0  0
    1.5415   10.4648    0.9982 H   0  0  0  0  0
   -0.7913   11.1524    0.6560 H   0  0  0  0  0
   -2.4839   11.8689   -1.0176 H   0  0  0  0  0
   -2.1497   11.2662   -3.4195 H   0  0  0  0  0
   -0.1012    9.9844   -4.0463 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 41  1  0  0  0
 13 16  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 47  1  0  0  0
 27 48  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 30 31  2  0  0  0
 30 50  1  0  0  0
 31 32  1  0  0  0
 31 51  1  0  0  0
 32 33  2  0  0  0
 32 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2059863

>  <PubChem CID>
70688555

>  <Formula>
C24H19F3N4O2

>  <Molecular Weight>
452.437000

>  <IUPAC Name>
N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C2=NC=C(N2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C2=NC=C(N2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C24H19F3N4O2/c1-15-5-6-17(22-29-13-21(31-22)24(25,26)27)12-20(15)30-23(32)16-7-9-19(10-8-16)33-14-18-4-2-3-11-28-18/h2-13H,14H2,1H3,(H,29,31)(H,30,32)

>  <InChI Key>
BQZARCIQCQXWNH-UHFFFAOYSA-N

