-ISIS-  01041916312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    1.8500    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9917   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1250    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9167    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9333   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  2  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
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 20  8  1  0  0  0  0
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 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
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 27 20  1  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
  3  5  1  0  0  0  0
 18 11  1  0  0  0  0
 12 26  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <ID> (STL519918)
STL519918

>  <Supplier> (STL519918)
VitasMLaboratory

>  <collection> (STL519918)
HTS-Compound

>  <Rotatable_Bonds> (STL519918)
7

>  <logP> (STL519918)
2.564

>  <PSA> (STL519918)
108.24

>  <H_Donors> (STL519918)
4

>  <H_Acceptors> (STL519918)
4

>  <Number_of_rings> (STL519918)
4

>  <NAME> (STL519918)
N-{2-[(1H-indol-4-ylcarbonyl)amino]ethyl}-4,7-dimethoxy-1H-indole-2-carboxamide

>  <Mol_Weight> (STL519918)
406.44

>  <Mol_Formula> (STL519918)
C22H22N4O4

>  <Smiles> (STL519918)
COc1ccc(c2c1[nH]c(c2)C(=O)NCCNC(=O)c1cccc2c1cc[nH]2)OC

$$$$