
 CHEMBL424947

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.6450   -5.8319    1.1050 C   0  0  0  0  0
    0.9439   -5.1543    2.3928 C   0  0  0  0  0
    0.4185   -5.5093    3.5491 N   0  0  0  0  0
    0.8923   -4.6160    4.4758 C   0  0  0  0  0
    1.7346   -3.6834    3.8740 C   0  0  0  0  0
    1.7949   -4.0774    2.5511 N   0  0  0  0  0
    2.5397   -3.3951    1.5010 C   0  0  0  0  0
    3.9040   -3.9946    1.2398 C   0  0  0  0  0
    4.9093   -3.9227    2.2128 C   0  0  0  0  0
    6.2051   -4.3620    1.9338 C   0  0  0  0  0
    6.5354   -4.8740    0.6710 C   0  0  0  0  0
    5.5299   -5.0023   -0.2908 C   0  0  0  0  0
    4.2248   -4.5608   -0.0073 C   0  0  0  0  0
    7.9469   -5.2893    0.4495 C   0  0  0  0  0
    8.5950   -5.6439    1.4353 O   0  0  0  0  0
    8.5774   -5.2589   -0.8725 C   0  0  0  0  0
    9.4136   -6.2773   -1.3405 C   0  0  0  0  0
   10.0263   -5.8086   -2.4753 N   0  0  0  0  0
    9.6157   -4.5401   -2.7786 C   0  0  0  0  0
    8.6604   -4.1680   -1.8261 C   0  0  0  0  0
    8.0920   -2.8728   -1.9594 C   0  0  0  0  0
    8.5586   -2.0097   -2.9700 C   0  0  0  0  0
    9.5247   -2.4210   -3.8800 C   0  0  0  0  0
   10.0575   -3.7036   -3.8106 C   0  0  0  0  0
    7.1215   -2.4490   -1.0797 O   0  0  0  0  0
    6.0081   -1.8457   -1.7439 C   0  0  0  0  0
    9.7515   -7.5956   -0.8516 C   0  0  0  0  0
   10.7046   -8.2413   -1.2700 O   0  0  0  0  0
    8.8276   -8.0488    0.0309 O   0  0  0  0  0
    9.0977   -9.3368    0.5875 C   0  0  0  0  0
    2.3120   -2.6401    4.6019 C   0  0  0  0  0
    1.9991   -2.6248    5.9560 C   0  0  0  0  0
    1.2001   -3.5177    6.5809 N   0  0  0  0  0
    0.6418   -4.5168    5.8466 C   0  0  0  0  0
    0.8586   -5.2133    0.2316 H   0  0  0  0  0
   -0.4195   -6.0881    1.0654 H   0  0  0  0  0
    1.2204   -6.7583    1.0249 H   0  0  0  0  0
    2.6540   -2.3434    1.7899 H   0  0  0  0  0
    1.9240   -3.3865    0.5963 H   0  0  0  0  0
    4.7094   -3.5087    3.1979 H   0  0  0  0  0
    6.9681   -4.2846    2.7075 H   0  0  0  0  0
    5.7499   -5.4223   -1.2689 H   0  0  0  0  0
    3.4682   -4.6396   -0.7859 H   0  0  0  0  0
   10.7296   -6.3295   -2.9842 H   0  0  0  0  0
    8.1842   -0.9926   -3.0426 H   0  0  0  0  0
    9.8752   -1.7329   -4.6460 H   0  0  0  0  0
   10.8205   -4.0254   -4.5132 H   0  0  0  0  0
    5.1459   -1.8866   -1.0719 H   0  0  0  0  0
    5.7393   -2.3773   -2.6648 H   0  0  0  0  0
    6.2106   -0.7904   -1.9537 H   0  0  0  0  0
    8.7215   -9.3475    1.6138 H   0  0  0  0  0
   10.1659   -9.5757    0.6191 H   0  0  0  0  0
    8.5617  -10.0952    0.0095 H   0  0  0  0  0
    2.9609   -1.8943    4.1629 H   0  0  0  0  0
    2.4070   -1.8527    6.6050 H   0  0  0  0  0
   -0.0014   -5.2140    6.3710 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5 31  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
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 23 24  2  0  0  0
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 24 47  1  0  0  0
 25 26  1  0  0  0
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 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 30 51  1  0  0  0
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 30 53  1  0  0  0
 31 32  2  0  0  0
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 32 33  1  0  0  0
 32 55  1  0  0  0
 33 34  2  0  0  0
 34 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL424947

>  <PubChem CID>
11797983

>  <Formula>
C26H22N4O4

>  <Molecular Weight>
454.486000

>  <IUPAC Name>
methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=C(NC5=C4C(=CC=C5)OC)C(=O)OC)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=C(NC5=C4C(=CC=C5)OC)C(=O)OC)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3

>  <InChI Key>
FELLELJGYHSTGT-UHFFFAOYSA-N

