
 CHEMBL554431

 60 61  0  0  0  0  0  0  0  0999 V2000
    0.9444    6.4232    1.6941 C   0  0  0  0  0
    2.1498    7.2959    2.0271 C   0  0  0  0  0
    3.2280    7.1893    0.9429 C   0  0  0  0  0
    4.4361    8.0678    1.2888 C   0  0  0  0  0
    5.4802    7.9905    0.2085 C   0  0  0  0  0
    5.1913    8.3432   -0.9289 O   0  0  0  0  0
    6.7323    7.5373    0.4879 N   0  0  0  0  0
    7.7379    7.4289   -0.5509 C   0  0  0  0  0
    9.0502    6.9222    0.0129 C   0  0  0  0  0
    9.7866    7.7364    0.5540 O   0  0  0  0  0
    9.4451    5.6071   -0.1115 N   0  0  0  0  0
    8.5482    4.6174   -0.6959 C   0  0  0  0  0
   10.7262    5.1837    0.3834 C   0  0  0  0  0
   11.6310    4.4746   -0.4486 C   0  0  0  0  0
   12.9044    4.0960    0.0458 C   0  0  0  0  0
   13.2473    4.4105    1.3842 C   0  0  0  0  0
   12.3454    5.1035    2.1920 C   0  0  0  0  0
   11.1063    5.4968    1.6979 C   0  0  0  0  0
   14.8060    3.9794    2.0863 Cl  0  0  0  0  0
   13.8984    3.4137   -0.8742 C   0  0  0  0  0
   13.4087    2.2094   -1.3463 O   0  0  0  0  0
   14.0779    1.4146   -2.2289 C   0  0  0  0  0
   15.3571    1.7470   -2.7441 C   0  0  0  0  0
   16.0042    0.8866   -3.6509 C   0  0  0  0  0
   15.3781   -0.3016   -4.0442 C   0  0  0  0  0
   14.1540   -0.5859   -3.5340 N   0  0  0  0  0
   13.5093    0.2149   -2.6652 C   0  0  0  0  0
   12.3082   -0.2805   -2.3033 N   0  0  0  0  0
   12.2067   -1.4498   -2.9830 C   0  0  0  0  0
   13.3507   -1.6388   -3.7439 C   0  0  0  0  0
   13.7490   -3.1167   -4.8973 Br  0  0  0  0  0
   11.0263   -2.3614   -2.8950 C   0  0  0  0  0
   11.2182    4.1434   -2.1397 Cl  0  0  0  0  0
    0.0302    3.1369    0.0566 Cl  0  0  0  0  0
    0.1790    6.5251    2.4921 H   0  0  0  0  0
    1.2509    5.3584    1.6294 H   0  0  0  0  0
    0.4946    6.7355    0.7274 H   0  0  0  0  0
    2.5685    6.9707    3.0045 H   0  0  0  0  0
    1.8147    8.3520    2.1148 H   0  0  0  0  0
    2.7962    7.5165   -0.0294 H   0  0  0  0  0
    3.5580    6.1310    0.8484 H   0  0  0  0  0
    4.8605    7.7337    2.2606 H   0  0  0  0  0
    4.1152    9.1267    1.3925 H   0  0  0  0  0
    6.9637    7.2457    1.4504 H   0  0  0  0  0
    7.9166    8.4221   -1.0192 H   0  0  0  0  0
    7.3508    6.7747   -1.3534 H   0  0  0  0  0
    7.5937    4.5998   -0.1256 H   0  0  0  0  0
    8.9710    3.5903   -0.6222 H   0  0  0  0  0
    8.3491    4.8393   -1.7621 H   0  0  0  0  0
   12.6131    5.3495    3.2124 H   0  0  0  0  0
   10.4294    6.0352    2.3498 H   0  0  0  0  0
   14.8681    3.2284   -0.3737 H   0  0  0  0  0
   14.0901    4.0997   -1.7288 H   0  0  0  0  0
   15.8583    2.6600   -2.4530 H   0  0  0  0  0
   16.9806    1.1428   -4.0416 H   0  0  0  0  0
   15.8629   -0.9743   -4.7406 H   0  0  0  0  0
   11.1635   -3.2577   -3.5348 H   0  0  0  0  0
   10.1164   -1.8211   -3.2305 H   0  0  0  0  0
   10.8905   -2.6905   -1.8447 H   0  0  0  0  0
    0.2360    2.4859   -1.1368 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  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL554431

>  <PubChem CID>
18923559

>  <Formula>
C23H26BrCl3N4O3

>  <Molecular Weight>
592.740000

>  <IUPAC Name>
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]pentanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCC(=O)NCC(=O)N(C)C1=C(C(=C(C=C1)Cl)COC2=CC=CN3C2=NC(=C3Br)C)Cl.Cl

>  <Isomeric SMILES>
CCCCC(=O)NCC(=O)N(C)C1=C(C(=C(C=C1)Cl)COC2=CC=CN3C2=NC(=C3Br)C)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C23H25BrCl2N4O3.ClH/c1-4-5-8-19(31)27-12-20(32)29(3)17-10-9-16(25)15(21(17)26)13-33-18-7-6-11-30-22(24)14(2)28-23(18)30;/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31);1H

>  <InChI Key>
HIXXLSPXBXVOJY-UHFFFAOYSA-N

