
 CHEMBL3633662

 51 54  0  0  0  0  0  0  0  0999 V2000
   10.3999    4.6361    5.8275 C   0  0  0  0  0
   11.1801    5.3536    6.9302 C   0  0  0  0  0
   11.2813    6.7598    6.6605 O   0  0  0  0  0
    9.9746    7.3486    6.5938 C   0  0  0  0  0
    9.1276    6.7138    5.4845 C   0  0  0  0  0
    9.0897    5.2526    5.6080 N   0  0  0  0  0
    8.0961    4.4625    5.0398 C   0  0  0  0  0
    8.2751    3.2686    4.7921 O   0  0  0  0  0
    6.7346    5.1028    4.7395 C   0  0  0  0  0
    6.7153    5.8216    3.4474 N   0  0  0  0  0
    6.9531    4.9095    2.2981 C   0  0  0  0  0
    5.8114    3.8964    2.1062 C   0  0  0  0  0
    4.6540    4.2061    2.4099 O   0  0  0  0  0
    6.1587    2.5967    1.5264 C   0  0  0  0  0
    5.7265    1.3417    1.9618 C   0  0  0  0  0
    6.4258    0.4117    1.2189 N   0  0  0  0  0
    7.2074    1.0083    0.2650 C   0  0  0  0  0
    8.0369    0.4327   -0.7040 C   0  0  0  0  0
    8.6842    1.2912   -1.5961 C   0  0  0  0  0
    8.5042    2.6677   -1.5171 C   0  0  0  0  0
    7.6900    3.2253   -0.5232 C   0  0  0  0  0
    7.0340    2.3819    0.4010 C   0  0  0  0  0
    4.7685    0.8951    2.9828 C   0  0  0  0  0
    5.0657   -0.1936    3.8181 C   0  0  0  0  0
    4.1211   -0.6791    4.7302 C   0  0  0  0  0
    2.8728   -0.0727    4.8314 C   0  0  0  0  0
    2.5663    1.0141    4.0172 C   0  0  0  0  0
    3.5030    1.4847    3.0922 C   0  0  0  0  0
   10.9425    4.7040    4.8771 H   0  0  0  0  0
   10.2890    3.5767    6.0805 H   0  0  0  0  0
   12.1959    4.9501    6.9945 H   0  0  0  0  0
   10.7018    5.2119    7.9068 H   0  0  0  0  0
    9.4863    7.2387    7.5695 H   0  0  0  0  0
   10.1002    8.4184    6.4024 H   0  0  0  0  0
    8.1255    7.1457    5.4995 H   0  0  0  0  0
    9.5740    6.9293    4.5064 H   0  0  0  0  0
    6.4749    5.7945    5.5480 H   0  0  0  0  0
    5.9712    4.3169    4.7734 H   0  0  0  0  0
    5.7643    6.1841    3.3275 H   0  0  0  0  0
    7.9198    4.4055    2.3920 H   0  0  0  0  0
    6.9906    5.5278    1.3954 H   0  0  0  0  0
    6.3345   -0.5884    1.3309 H   0  0  0  0  0
    8.1693   -0.6423   -0.7742 H   0  0  0  0  0
    9.3273    0.8757   -2.3687 H   0  0  0  0  0
    8.9978    3.3198   -2.2352 H   0  0  0  0  0
    7.5569    4.3009   -0.4964 H   0  0  0  0  0
    6.0373   -0.6781    3.7733 H   0  0  0  0  0
    4.3641   -1.5314    5.3611 H   0  0  0  0  0
    2.1394   -0.4453    5.5405 H   0  0  0  0  0
    1.5944    1.4939    4.0890 H   0  0  0  0  0
    3.2186    2.3073    2.4425 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 22  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 27 28  2  0  0  0
 27 50  1  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633662

>  <PubChem CID>
122195452

>  <Formula>
C22H23N3O3

>  <Molecular Weight>
377.444000

>  <IUPAC Name>
2-[(2-morpholin-4-yl-2-oxoethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCN1C(=O)CNCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
C1COCCN1C(=O)CNCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H23N3O3/c26-19(14-23-15-20(27)25-10-12-28-13-11-25)21-17-8-4-5-9-18(17)24-22(21)16-6-2-1-3-7-16/h1-9,23-24H,10-15H2

>  <InChI Key>
CTJPRWOQQKDQRC-UHFFFAOYSA-N

