
 CHEMBL1672257

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.6460   -1.2875    3.6728 C   0  0  0  0  0
    5.3788   -1.3257    2.2766 O   0  0  0  0  0
    6.4501   -1.3773    1.4277 C   0  0  0  0  0
    7.7882   -1.2835    1.8272 C   0  0  0  0  0
    8.8190   -1.2905    0.8792 C   0  0  0  0  0
    8.5266   -1.3829   -0.4783 C   0  0  0  0  0
    7.2014   -1.4808   -0.8907 C   0  0  0  0  0
    6.1674   -1.4952    0.0596 C   0  0  0  0  0
    4.7848   -1.5474   -0.4600 C   0  0  0  0  0
    4.5041   -0.7108   -1.3204 O   0  0  0  0  0
    3.8080   -2.5192   -0.1166 N   0  0  0  0  0
    3.9885   -3.6102    0.7219 C   0  0  0  0  0
    2.8506   -4.3834    0.7224 C   0  0  0  0  0
    1.9234   -3.7878   -0.1680 C   0  0  0  0  0
    2.5125   -2.6106   -0.6407 C   0  0  0  0  0
    1.8183   -1.7666   -1.5195 C   0  0  0  0  0
    0.5646   -2.1659   -1.9879 C   0  0  0  0  0
   -0.0155   -3.3680   -1.5947 C   0  0  0  0  0
    0.6371   -4.1575   -0.6351 C   0  0  0  0  0
   -1.2247   -3.8425   -2.1483 N   0  0  0  0  0
   -1.8439   -3.3592   -3.2934 C   0  0  0  0  0
   -1.4684   -2.4232   -3.9923 O   0  0  0  0  0
   -3.0691   -4.1092   -3.7089 C   0  0  0  0  0
   -3.6933   -3.7646   -4.9052 C   0  0  0  0  0
   -4.8371   -4.4585   -5.2790 C   0  0  0  0  0
   -5.3172   -5.4649   -4.4494 C   0  0  0  0  0
   -4.6255   -5.7460   -3.2778 C   0  0  0  0  0
   -3.5043   -5.0997   -2.8823 N   0  0  0  0  0
    4.6861   -1.3155    4.1970 H   0  0  0  0  0
    6.1518   -0.3571    3.9499 H   0  0  0  0  0
    6.2231   -2.1629    3.9890 H   0  0  0  0  0
    8.0681   -1.1827    2.8713 H   0  0  0  0  0
    9.8537   -1.2033    1.2034 H   0  0  0  0  0
    9.3267   -1.3653   -1.2154 H   0  0  0  0  0
    6.9682   -1.5289   -1.9531 H   0  0  0  0  0
    4.9240   -3.7597    1.2415 H   0  0  0  0  0
    2.7160   -5.3028    1.2771 H   0  0  0  0  0
    2.2431   -0.8320   -1.8745 H   0  0  0  0  0
    0.0696   -1.4947   -2.6812 H   0  0  0  0  0
    0.1975   -5.0874   -0.2881 H   0  0  0  0  0
   -1.6379   -4.6882   -1.7632 H   0  0  0  0  0
   -3.2952   -2.9720   -5.5323 H   0  0  0  0  0
   -5.3470   -4.2110   -6.2067 H   0  0  0  0  0
   -6.2123   -6.0181   -4.7122 H   0  0  0  0  0
   -4.9740   -6.5260   -2.6060 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672257

>  <PubChem CID>
53322767

>  <Formula>
C22H17N3O3

>  <Molecular Weight>
371.396000

>  <IUPAC Name>
N-[1-(2-methoxybenzoyl)indol-5-yl]pyridine-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1C(=O)N2C=CC3=C2C=CC(=C3)NC(=O)C4=CC=CC=N4

>  <Isomeric SMILES>
COC1=CC=CC=C1C(=O)N2C=CC3=C2C=CC(=C3)NC(=O)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C22H17N3O3/c1-28-20-8-3-2-6-17(20)22(27)25-13-11-15-14-16(9-10-19(15)25)24-21(26)18-7-4-5-12-23-18/h2-14H,1H3,(H,24,26)

>  <InChI Key>
GQRLDCRWANUDSO-UHFFFAOYSA-N

