
 CHEMBL218605

 54 57  0  0  0  0  0  0  0  0999 V2000
   11.6474   -3.5402   -3.4560 C   0  0  0  0  0
   10.7827   -3.0890   -2.3493 C   0  0  0  0  0
   11.2289   -2.3519   -1.3285 N   0  0  0  0  0
   10.1072   -2.2444   -0.4949 O   0  0  0  0  0
    9.0951   -2.9196   -1.1233 C   0  0  0  0  0
    9.4606   -3.4390   -2.2742 N   0  0  0  0  0
    7.8361   -3.0593   -0.4071 C   0  0  0  0  0
    7.1783   -2.0194    0.2990 C   0  0  0  0  0
    5.9531   -2.3458    0.9405 C   0  0  0  0  0
    5.4023   -3.6284    0.9104 C   0  0  0  0  0
    6.0573   -4.6320    0.2198 C   0  0  0  0  0
    7.2518   -4.3425   -0.4306 C   0  0  0  0  0
    7.8579   -5.3556   -1.0707 F   0  0  0  0  0
    7.6507   -0.6116    0.4106 C   0  0  0  0  0
    7.6071    0.0518    1.6495 C   0  0  0  0  0
    7.9560    1.3980    1.7699 C   0  0  0  0  0
    8.3944    2.1459    0.6764 C   0  0  0  0  0
    8.4501    1.4961   -0.5649 C   0  0  0  0  0
    8.0785    0.1432   -0.6944 C   0  0  0  0  0
    8.7613    3.6039    0.8747 C   0  0  0  0  0
   10.0459    4.0140    0.1505 C   0  0  0  0  0
    7.6541    4.4663    0.4938 N   0  0  0  0  0
    7.4766    5.7047    1.0636 C   0  0  0  0  0
    8.2032    6.2024    1.9135 O   0  0  0  0  0
    6.2910    6.4853    0.5323 C   0  0  0  0  0
    4.9098    5.8562    0.6255 C   0  0  0  0  0
    5.2755    6.9611    1.5648 C   0  0  0  0  0
    6.5726    7.3842   -0.5631 N   0  0  0  0  0
    6.8447    6.9297   -1.8486 C   0  0  0  0  0
    6.8270    5.7287   -2.1330 O   0  0  0  0  0
    7.1418    8.0559   -2.8576 C   0  0  0  0  0
    8.3734    7.9426   -3.4231 F   0  0  0  0  0
    6.2409    8.0944   -3.8768 F   0  0  0  0  0
    7.1033    9.2883   -2.2689 F   0  0  0  0  0
    7.8481    1.9709    2.9774 F   0  0  0  0  0
   12.3922   -4.2521   -3.0907 H   0  0  0  0  0
   12.1664   -2.6957   -3.9154 H   0  0  0  0  0
   11.0588   -4.0395   -4.2319 H   0  0  0  0  0
    5.3961   -1.5749    1.4757 H   0  0  0  0  0
    4.4666   -3.8344    1.4226 H   0  0  0  0  0
    5.6541   -5.6393    0.1791 H   0  0  0  0  0
    7.2841   -0.4643    2.5513 H   0  0  0  0  0
    8.7756    2.0309   -1.4550 H   0  0  0  0  0
    8.1170   -0.3022   -1.6870 H   0  0  0  0  0
    8.9513    3.7713    1.9429 H   0  0  0  0  0
    9.9268    3.9953   -0.9377 H   0  0  0  0  0
   10.8754    3.3496    0.4159 H   0  0  0  0  0
   10.3344    5.0360    0.4218 H   0  0  0  0  0
    7.1359    4.2665   -0.3571 H   0  0  0  0  0
    4.8245    4.8555    1.0349 H   0  0  0  0  0
    4.1944    6.0691   -0.1599 H   0  0  0  0  0
    4.8028    7.9260    1.4239 H   0  0  0  0  0
    5.4549    6.7109    2.6052 H   0  0  0  0  0
    6.7432    8.3605   -0.3419 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 29 31  1  0  0  0
 29 30  2  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>
CHEMBL218605

>  <PubChem CID>
10217706

>  <Formula>
C23H19F5N4O3

>  <Molecular Weight>
494.422000

>  <IUPAC Name>
N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=NOC(=N1)C2=C(C=CC=C2F)C3=CC(=C(C=C3)C(C)NC(=O)C4(CC4)NC(=O)C(F)(F)F)F

>  <Isomeric SMILES>
CC1=NOC(=N1)C2=C(C=CC=C2F)C3=CC(=C(C=C3)[C@@H](C)NC(=O)C4(CC4)NC(=O)C(F)(F)F)F

>  <InChI Std. ID>
InChI=1S/C23H19F5N4O3/c1-11(29-20(33)22(8-9-22)31-21(34)23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)18(15)19-30-12(2)32-35-19/h3-7,10-11H,8-9H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1

>  <InChI Key>
CGBPIPCJBPSCOI-LLVKDONJSA-N

