
 SCHEMBL1616590

 55 58  0  0  0  0  0  0  0  0999 V2000
    4.4355    5.1131   -1.7088 C   0  0  0  0  0
    4.3886    3.6381   -1.7106 C   0  0  0  0  0
    3.9002    2.6918   -0.8331 C   0  0  0  0  0
    4.1876    1.4578   -1.4829 C   0  0  0  0  0
    4.8096    1.6533   -2.6507 N   0  0  0  0  0
    4.9310    3.0201   -2.7908 O   0  0  0  0  0
    3.8956    0.0769   -1.0305 C   0  0  0  0  0
    3.2317    2.9204    0.4744 C   0  0  0  0  0
    1.7946    3.0850    0.2957 N   0  0  0  0  0
    0.8596    2.0895    0.2711 C   0  0  0  0  0
   -0.3475    2.6817   -0.0319 C   0  0  0  0  0
   -0.0334    4.0626   -0.0871 C   0  0  0  0  0
    1.2618    4.3125    0.1357 N   0  0  0  0  0
   -1.5624    2.0416   -0.2417 N   0  0  0  0  0
   -1.7607    0.6804   -0.1753 C   0  0  0  0  0
   -0.9502   -0.1951    0.1145 O   0  0  0  0  0
   -3.2245    0.3798   -0.5430 C   0  0  0  0  0
   -3.7148    1.7291   -0.7764 N   0  0  0  0  0
   -2.7200    2.6873   -0.6089 C   0  0  0  0  0
   -2.8970    3.8826   -0.7923 O   0  0  0  0  0
   -5.0539    2.0396   -1.2602 C   0  0  0  0  0
   -5.0843    2.3511   -2.7600 C   0  0  0  0  0
   -6.4930    2.5611   -3.2474 C   0  0  0  0  0
   -7.0530    3.8437   -3.2995 C   0  0  0  0  0
   -8.3713    4.0193   -3.7285 C   0  0  0  0  0
   -9.1411    2.9180   -4.1059 C   0  0  0  0  0
   -8.5942    1.6375   -4.0513 C   0  0  0  0  0
   -7.2819    1.4691   -3.6211 C   0  0  0  0  0
   -6.7745    0.2294   -3.5547 F   0  0  0  0  0
   -3.9185   -0.2854    0.6436 C   0  0  0  0  0
   -3.2603   -0.4939   -1.7942 C   0  0  0  0  0
    4.8104    5.5013   -2.6611 H   0  0  0  0  0
    5.0966    5.4704   -0.9132 H   0  0  0  0  0
    3.4388    5.5320   -1.5438 H   0  0  0  0  0
    4.1917   -0.6648   -1.7798 H   0  0  0  0  0
    2.8253   -0.0510   -0.8460 H   0  0  0  0  0
    4.4361   -0.1432   -0.1047 H   0  0  0  0  0
    3.6113    3.8211    0.9699 H   0  0  0  0  0
    3.3839    2.0765    1.1561 H   0  0  0  0  0
    1.1383    1.0570    0.4256 H   0  0  0  0  0
   -0.6921    4.8997   -0.2837 H   0  0  0  0  0
   -5.4083    2.9162   -0.7037 H   0  0  0  0  0
   -5.7209    1.2077   -1.0111 H   0  0  0  0  0
   -4.6202    1.5404   -3.3342 H   0  0  0  0  0
   -4.4805    3.2410   -2.9783 H   0  0  0  0  0
   -6.4675    4.7130   -3.0053 H   0  0  0  0  0
   -8.7989    5.0188   -3.7672 H   0  0  0  0  0
  -10.1662    3.0590   -4.4393 H   0  0  0  0  0
   -9.1812    0.7710   -4.3380 H   0  0  0  0  0
   -3.8614    0.3427    1.5402 H   0  0  0  0  0
   -3.4523   -1.2465    0.8876 H   0  0  0  0  0
   -4.9776   -0.4698    0.4365 H   0  0  0  0  0
   -2.7174   -0.0253   -2.6235 H   0  0  0  0  0
   -4.2882   -0.6730   -2.1271 H   0  0  0  0  0
   -2.7932   -1.4682   -1.6101 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 17 30  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 29  1  0  0  0
 30 50  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1616590

>  <PubChem CID>
53374189

>  <Formula>
C22H24FN5O3

>  <Molecular Weight>
425.464000

>  <IUPAC Name>
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CCC4=CC=CC=C4F)(C)C

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CCC4=CC=CC=C4F)(C)C

>  <InChI Std. ID>
InChI=1S/C22H24FN5O3/c1-14-18(15(2)31-25-14)13-26-12-17(11-24-26)28-20(29)22(3,4)27(21(28)30)10-9-16-7-5-6-8-19(16)23/h5-8,11-12H,9-10,13H2,1-4H3

>  <InChI Key>
DMBJYNIJCJKXJM-UHFFFAOYSA-N

