
 CHEMBL378394

 52 55  0  0  0  0  0  0  0  0999 V2000
    3.1470   -0.5132   -2.9994 C   0  0  0  0  0
    3.4803   -0.2528   -1.5958 N   0  0  0  0  0
    4.2688   -1.3658   -1.0631 C   0  0  0  0  0
    4.1929    1.0371   -1.4826 C   0  0  0  0  0
    4.4290    1.4837   -0.0305 C   0  0  0  0  0
    5.0652    2.8557    0.0396 C   0  0  0  0  0
    6.4638    3.0650   -0.0524 C   0  0  0  0  0
    7.5840    2.2009   -0.2415 C   0  0  0  0  0
    8.7235    2.9746   -0.2549 C   0  0  0  0  0
    8.3394    4.2749   -0.0542 N   0  0  0  0  0
    6.9690    4.3633    0.0407 C   0  0  0  0  0
    6.1526    5.4868    0.2014 C   0  0  0  0  0
    4.7751    5.2760    0.2659 C   0  0  0  0  0
    4.2413    3.9906    0.1881 C   0  0  0  0  0
   10.0890    2.6187   -0.4504 C   0  0  0  0  0
   11.0847    3.4730   -0.2888 N   0  0  0  0  0
   12.2053    2.7540   -0.6196 C   0  0  0  0  0
   11.8512    1.4787   -0.9862 C   0  0  0  0  0
   10.4948    1.3734   -0.8639 O   0  0  0  0  0
   12.5832    0.2950   -1.4876 C   0  0  0  0  0
   12.8052   -0.7475   -0.3916 C   0  0  0  0  0
   13.5442   -1.9512   -0.9271 C   0  0  0  0  0
   14.9461   -1.9761   -0.9412 C   0  0  0  0  0
   15.6280   -3.0726   -1.4736 C   0  0  0  0  0
   14.9115   -4.1470   -1.9960 C   0  0  0  0  0
   13.5185   -4.1350   -1.9902 C   0  0  0  0  0
   12.8361   -3.0384   -1.4589 C   0  0  0  0  0
   15.7524   -5.4945   -2.6579 Cl  0  0  0  0  0
    2.5102    0.2833   -3.3998 H   0  0  0  0  0
    2.5762   -1.4440   -3.0935 H   0  0  0  0  0
    4.0411   -0.5916   -3.6286 H   0  0  0  0  0
    3.7455   -2.3170   -1.2154 H   0  0  0  0  0
    4.4053   -1.2716    0.0186 H   0  0  0  0  0
    5.2548   -1.4382   -1.5359 H   0  0  0  0  0
    3.5887    1.8116   -1.9747 H   0  0  0  0  0
    5.1473    0.9971   -2.0248 H   0  0  0  0  0
    5.0860    0.7793    0.4923 H   0  0  0  0  0
    3.4819    1.4878    0.5238 H   0  0  0  0  0
    7.5536    1.1263   -0.3669 H   0  0  0  0  0
    8.9827    5.0539   -0.0143 H   0  0  0  0  0
    6.5670    6.4874    0.2681 H   0  0  0  0  0
    4.1080    6.1273    0.3824 H   0  0  0  0  0
    3.1609    3.8679    0.2470 H   0  0  0  0  0
   13.1922    3.1948   -0.5942 H   0  0  0  0  0
   13.5474    0.6156   -1.9019 H   0  0  0  0  0
   12.0226   -0.1468   -2.3214 H   0  0  0  0  0
   11.8460   -1.0681    0.0361 H   0  0  0  0  0
   13.3708   -0.3137    0.4436 H   0  0  0  0  0
   15.5165   -1.1408   -0.5406 H   0  0  0  0  0
   16.7146   -3.0810   -1.4804 H   0  0  0  0  0
   12.9592   -4.9719   -2.3996 H   0  0  0  0  0
   11.7479   -3.0366   -1.4658 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
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 26 51  1  0  0  0
 27 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL378394

>  <PubChem CID>
44413175

>  <Formula>
C23H24ClN3O

>  <Molecular Weight>
393.915000

>  <IUPAC Name>
2-[2-[5-[2-(4-chlorophenyl)ethyl]-1,3-oxazol-2-yl]-1H-indol-4-yl]-N,N-dimethylethanamine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C3=NC=C(O3)CCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C3=NC=C(O3)CCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H24ClN3O/c1-27(2)13-12-17-4-3-5-21-20(17)14-22(26-21)23-25-15-19(28-23)11-8-16-6-9-18(24)10-7-16/h3-7,9-10,14-15,26H,8,11-13H2,1-2H3

>  <InChI Key>
BOOMWXGTPLEZGU-UHFFFAOYSA-N

