
 CHEMBL174262

 52 56  0  0  0  0  0  0  0  0999 V2000
    0.6943   -4.9760    0.9695 C   0  0  0  0  0
    1.1396   -4.2641    2.1970 C   0  0  0  0  0
    0.5733   -4.4270    3.3765 N   0  0  0  0  0
    1.2058   -3.5585    4.2286 C   0  0  0  0  0
    2.2048   -2.8551    3.5623 C   0  0  0  0  0
    2.1736   -3.3494    2.2731 N   0  0  0  0  0
    3.0097   -2.8741    1.1788 C   0  0  0  0  0
    4.3188   -3.6235    1.0538 C   0  0  0  0  0
    5.5408   -2.9347    1.1381 C   0  0  0  0  0
    6.7592   -3.5976    0.9327 C   0  0  0  0  0
    6.7756   -4.9675    0.6501 C   0  0  0  0  0
    5.5626   -5.6594    0.5635 C   0  0  0  0  0
    4.3493   -4.9958    0.7664 C   0  0  0  0  0
    8.0324   -5.7196    0.3692 C   0  0  0  0  0
    7.9754   -6.6633   -0.4161 O   0  0  0  0  0
    9.2724   -5.3781    1.0671 C   0  0  0  0  0
    9.3494   -4.9015    2.3662 C   0  0  0  0  0
   10.6635   -4.8467    2.7339 N   0  0  0  0  0
   11.4616   -5.3053    1.7141 C   0  0  0  0  0
   12.8514   -5.4897    1.6963 C   0  0  0  0  0
   13.4348   -5.9842    0.5306 C   0  0  0  0  0
   12.6586   -6.2381   -0.5936 C   0  0  0  0  0
   11.2678   -6.0156   -0.5766 C   0  0  0  0  0
   10.6318   -5.5865    0.6192 C   0  0  0  0  0
   10.5641   -6.1754   -1.8650 C   0  0  0  0  0
   10.8369   -7.0429   -2.6773 O   0  0  0  0  0
    9.7615   -5.0978   -2.0553 O   0  0  0  0  0
    9.1038   -5.0207   -3.3220 C   0  0  0  0  0
    2.9727   -1.8826    4.2050 C   0  0  0  0  0
    2.6594   -1.6817    5.5442 C   0  0  0  0  0
    1.7067   -2.3508    6.2326 N   0  0  0  0  0
    0.9762   -3.2954    5.5824 C   0  0  0  0  0
    1.2633   -4.7135    0.0764 H   0  0  0  0  0
   -0.3578   -4.7468    0.7723 H   0  0  0  0  0
    0.7828   -6.0571    1.1178 H   0  0  0  0  0
    3.1866   -1.8052    1.3484 H   0  0  0  0  0
    2.4463   -2.9376    0.2430 H   0  0  0  0  0
    5.5581   -1.8652    1.3414 H   0  0  0  0  0
    7.6834   -3.0255    0.9680 H   0  0  0  0  0
    5.5563   -6.7224    0.3251 H   0  0  0  0  0
    3.4332   -5.5733    0.6781 H   0  0  0  0  0
    8.5771   -4.6482    3.0814 H   0  0  0  0  0
   11.0049   -4.5639    3.6429 H   0  0  0  0  0
   13.4621   -5.2733    2.5679 H   0  0  0  0  0
   14.5084   -6.1553    0.4940 H   0  0  0  0  0
   13.1369   -6.5925   -1.5056 H   0  0  0  0  0
    9.3190   -5.8604   -3.9890 H   0  0  0  0  0
    9.4162   -4.0935   -3.8108 H   0  0  0  0  0
    8.0256   -4.9751   -3.1471 H   0  0  0  0  0
    3.7480   -1.3141    3.7109 H   0  0  0  0  0
    3.1947   -0.9356    6.1271 H   0  0  0  0  0
    0.2146   -3.8116    6.1529 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  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 32  1  0  0  0
  5 29  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 28 47  1  0  0  0
 28 48  1  0  0  0
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 29 30  2  0  0  0
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 31 32  2  0  0  0
 32 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL174262

>  <PubChem CID>
10550254

>  <Formula>
C25H20N4O3

>  <Molecular Weight>
424.460000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CNC5=CC=CC(=C54)C(=O)OC)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CNC5=CC=CC(=C54)C(=O)OC)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C25H20N4O3/c1-15-28-21-13-26-11-10-22(21)29(15)14-16-6-8-17(9-7-16)24(30)19-12-27-20-5-3-4-18(23(19)20)25(31)32-2/h3-13,27H,14H2,1-2H3

>  <InChI Key>
ARVFGNKAVFTGCL-UHFFFAOYSA-N

