
 CHEMBL1760951

 48 50  0  0  0  0  0  0  0  0999 V2000
    6.1412   -0.2197   -4.2713 C   0  0  0  0  0
    5.3121    0.7349   -3.4552 C   0  0  0  0  0
    4.1872    0.4548   -3.0561 O   0  0  0  0  0
    5.9202    1.9460   -3.2214 N   0  0  0  0  0
    5.2910    2.9714   -2.4016 C   0  0  0  0  0
    5.3838    2.6911   -0.9028 C   0  0  0  0  0
    6.7519    2.7414   -0.4149 N   0  0  0  0  0
    7.5891    1.6601   -0.3188 C   0  0  0  0  0
    8.7686    2.0698    0.2849 C   0  0  0  0  0
    8.6579    3.4837    0.4753 C   0  0  0  0  0
    7.3851    3.8637    0.0480 C   0  0  0  0  0
    6.8489    5.1000    0.0830 N   0  0  0  0  0
    7.6840    6.0257    0.6054 C   0  0  0  0  0
    8.9850    5.7941    1.0305 C   0  0  0  0  0
    9.4930    4.4958    0.9821 C   0  0  0  0  0
    7.2480    7.3357    0.7263 O   0  0  0  0  0
    5.8274    7.4336    0.7395 C   0  0  0  0  0
    9.9236    1.1876    0.6512 C   0  0  0  0  0
    9.7981    0.7022    2.0371 N   0  0  0  0  0
    8.6141   -0.1584    2.2720 C   0  0  0  0  0
    8.7012   -1.5290    1.5832 C   0  0  0  0  0
    9.8671   -2.2440    2.0109 O   0  0  0  0  0
   11.0572   -1.4831    1.7711 C   0  0  0  0  0
   10.9906   -0.0883    2.4234 C   0  0  0  0  0
    7.2083   -0.0719   -4.0837 H   0  0  0  0  0
    5.9318   -0.0653   -5.3328 H   0  0  0  0  0
    5.8874   -1.2468   -3.9939 H   0  0  0  0  0
    6.8973    2.0651   -3.4599 H   0  0  0  0  0
    4.2355    3.0339   -2.6894 H   0  0  0  0  0
    5.7698    3.9228   -2.6564 H   0  0  0  0  0
    4.9838    1.7018   -0.6523 H   0  0  0  0  0
    4.8034    3.4299   -0.3398 H   0  0  0  0  0
    7.2646    0.6786   -0.6375 H   0  0  0  0  0
    9.5863    6.6083    1.4196 H   0  0  0  0  0
   10.4943    4.2764    1.3355 H   0  0  0  0  0
    5.5671    8.4710    0.9709 H   0  0  0  0  0
    5.3922    6.8012    1.5222 H   0  0  0  0  0
    5.4031    7.1928   -0.2408 H   0  0  0  0  0
   10.8448    1.7770    0.5581 H   0  0  0  0  0
   10.0042    0.3720   -0.0765 H   0  0  0  0  0
    7.6811    0.3462    2.0054 H   0  0  0  0  0
    8.5439   -0.3242    3.3558 H   0  0  0  0  0
    7.8283   -2.1325    1.8523 H   0  0  0  0  0
    8.7105   -1.4411    0.4908 H   0  0  0  0  0
   11.8939   -2.0458    2.1972 H   0  0  0  0  0
   11.2263   -1.4164    0.6907 H   0  0  0  0  0
   10.9571   -0.2189    3.5133 H   0  0  0  0  0
   11.9094    0.4716    2.2141 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
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 24 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1760951

>  <PubChem CID>
54586060

>  <Formula>
C17H24N4O3

>  <Molecular Weight>
332.404000

>  <IUPAC Name>
N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NCCN1C=C(C2=C1N=C(C=C2)OC)CN3CCOCC3

>  <Isomeric SMILES>
CC(=O)NCCN1C=C(C2=C1N=C(C=C2)OC)CN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22)

>  <InChI Key>
CRJVLUQEWDTFEC-UHFFFAOYSA-N

