
 CHEMBL556176

 51 53  0  0  0  0  0  0  0  0999 V2000
    9.1811    0.8876    0.5067 C   0  0  0  0  0
    9.8916   -0.3084   -0.0006 C   0  0  0  0  0
   11.1075   -0.4018   -0.6413 C   0  0  0  0  0
   11.3088   -1.7354   -0.9031 N   0  0  0  0  0
   12.3705   -2.3777   -1.5431 C   0  0  0  0  0
   12.3487   -3.7135   -1.6785 C   0  0  0  0  0
   11.2214   -4.4512   -1.1359 C   0  0  0  0  0
   10.1869   -3.8358   -0.5300 C   0  0  0  0  0
   10.1963   -2.4078   -0.3898 C   0  0  0  0  0
    9.3363   -1.5603    0.1454 N   0  0  0  0  0
    9.1714   -4.5903    0.0214 O   0  0  0  0  0
    7.8451   -4.0827   -0.1481 C   0  0  0  0  0
    6.9123   -5.2736   -0.0856 C   0  0  0  0  0
    6.6523   -6.0350   -1.2409 C   0  0  0  0  0
    5.8533   -7.1802   -1.1881 C   0  0  0  0  0
    5.2955   -7.5946    0.0184 C   0  0  0  0  0
    5.5207   -6.8614    1.1891 C   0  0  0  0  0
    6.3493   -5.7109    1.1369 C   0  0  0  0  0
    6.8191   -4.9371    2.6295 Cl  0  0  0  0  0
    4.9216   -7.3101    2.4110 N   0  0  0  0  0
    4.9950   -8.7353    2.7135 C   0  0  0  0  0
    4.0187   -6.4533    3.0667 C   0  0  0  0  0
    3.6394   -5.3842    2.5858 O   0  0  0  0  0
    3.4989   -6.9529    4.4266 C   0  0  0  0  0
    2.5664   -6.0364    5.0575 N   0  0  0  0  0
    2.8084   -4.9544    5.8338 C   0  0  0  0  0
    1.8691   -4.2457    6.1832 O   0  0  0  0  0
    4.0983   -4.7194    6.1868 N   0  0  0  0  0
    4.4508   -3.5941    7.0133 C   0  0  0  0  0
    7.3297   -5.6366   -2.7842 Cl  0  0  0  0  0
   12.2460    1.0177   -1.0590 Br  0  0  0  0  0
    8.2211    0.6120    0.9546 H   0  0  0  0  0
    8.9839    1.5930   -0.3069 H   0  0  0  0  0
    9.7780    1.3947    1.2715 H   0  0  0  0  0
   13.1836   -1.7664   -1.9134 H   0  0  0  0  0
   13.1494   -4.2575   -2.1677 H   0  0  0  0  0
   11.2370   -5.5336   -1.2211 H   0  0  0  0  0
    7.7254   -3.5559   -1.1031 H   0  0  0  0  0
    7.6129   -3.3567    0.6368 H   0  0  0  0  0
    5.6591   -7.7561   -2.0905 H   0  0  0  0  0
    4.6557   -8.4730    0.0208 H   0  0  0  0  0
    5.8669   -9.1924    2.2345 H   0  0  0  0  0
    4.0755   -9.2213    2.3727 H   0  0  0  0  0
    5.0934   -8.8862    3.7917 H   0  0  0  0  0
    4.3432   -7.1403    5.0944 H   0  0  0  0  0
    2.9455   -7.8838    4.2711 H   0  0  0  0  0
    1.6169   -6.0252    4.7073 H   0  0  0  0  0
    4.8164   -5.3868    5.9690 H   0  0  0  0  0
    3.8813   -2.7088    6.7168 H   0  0  0  0  0
    5.5206   -3.4015    6.9029 H   0  0  0  0  0
    4.2248   -3.8406    8.0541 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
 29 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556176

>  <PubChem CID>
10792291

>  <Formula>
C20H20BrCl2N5O3

>  <Molecular Weight>
529.216000

>  <IUPAC Name>
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(methylcarbamoylamino)acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC)Cl)Br

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC)Cl)Br

>  <InChI Std. ID>
InChI=1S/C20H20BrCl2N5O3/c1-11-18(21)28-8-4-5-15(19(28)26-11)31-10-12-13(22)6-7-14(17(12)23)27(3)16(29)9-25-20(30)24-2/h4-8H,9-10H2,1-3H3,(H2,24,25,30)

>  <InChI Key>
CBBTUOINAJEZOJ-UHFFFAOYSA-N

