
 CHEMBL154682

 48 50  0  0  0  0  0  0  0  0999 V2000
   13.8274   -2.3248   -1.2028 C   0  0  0  0  0
   12.7020   -2.0173   -0.2905 C   0  0  0  0  0
   12.6159   -1.0666    0.7021 C   0  0  0  0  0
   11.3551   -1.1751    1.2361 N   0  0  0  0  0
   10.7416   -0.4321    2.2445 C   0  0  0  0  0
    9.4809   -0.7190    2.5990 C   0  0  0  0  0
    8.7949   -1.8126    1.9298 C   0  0  0  0  0
    9.3795   -2.5357    0.9467 C   0  0  0  0  0
   10.7261   -2.2207    0.5558 C   0  0  0  0  0
   11.5238   -2.7291   -0.3682 N   0  0  0  0  0
    8.8316   -3.6125    0.2868 O   0  0  0  0  0
    7.4241   -3.6003    0.0502 C   0  0  0  0  0
    6.9271   -5.0242   -0.0592 C   0  0  0  0  0
    6.7179   -5.6374   -1.3074 C   0  0  0  0  0
    6.2573   -6.9559   -1.3967 C   0  0  0  0  0
    5.9983   -7.6934   -0.2446 C   0  0  0  0  0
    6.1912   -7.1144    1.0118 C   0  0  0  0  0
    6.6704   -5.7873    1.1047 C   0  0  0  0  0
    7.0435   -5.1308    2.6773 Cl  0  0  0  0  0
    5.8659   -7.8920    2.1645 N   0  0  0  0  0
    6.7330   -9.0391    2.4209 C   0  0  0  0  0
    4.7986   -7.4788    2.9656 C   0  0  0  0  0
    4.0782   -6.5197    2.6684 O   0  0  0  0  0
    4.5398   -8.2786    4.2498 C   0  0  0  0  0
    3.4510   -7.7290    4.9970 O   0  0  0  0  0
    2.2220   -8.0461    4.5040 C   0  0  0  0  0
    1.9982   -8.8979    3.6561 O   0  0  0  0  0
    1.1787   -7.1776    5.1372 C   0  0  0  0  0
    7.0083   -4.8187   -2.8032 Cl  0  0  0  0  0
   13.9575    0.1319    1.2021 Br  0  0  0  0  0
   13.5571   -3.1171   -1.9075 H   0  0  0  0  0
   14.7024   -2.6579   -0.6360 H   0  0  0  0  0
   14.1056   -1.4388   -1.7829 H   0  0  0  0  0
   11.3132    0.3623    2.7079 H   0  0  0  0  0
    8.9628   -0.1712    3.3792 H   0  0  0  0  0
    7.8047   -2.0384    2.3082 H   0  0  0  0  0
    7.2365   -3.0238   -0.8611 H   0  0  0  0  0
    6.8426   -3.0925    0.8254 H   0  0  0  0  0
    6.0835   -7.4117   -2.3694 H   0  0  0  0  0
    5.6040   -8.7022   -0.3368 H   0  0  0  0  0
    7.7666   -8.6854    2.5012 H   0  0  0  0  0
    6.6549   -9.7547    1.5977 H   0  0  0  0  0
    6.4795   -9.5544    3.3477 H   0  0  0  0  0
    5.4266   -8.2082    4.8875 H   0  0  0  0  0
    4.3584   -9.3342    4.0183 H   0  0  0  0  0
    1.2241   -7.2679    6.2252 H   0  0  0  0  0
    0.1875   -7.4966    4.8031 H   0  0  0  0  0
    1.3352   -6.1397    4.8313 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
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 15 16  2  0  0  0
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 18 19  1  0  0  0
 20 22  1  0  0  0
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 28 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL154682

>  <PubChem CID>
10553878

>  <Formula>
C20H18BrCl2N3O4

>  <Molecular Weight>
515.185000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C20H18BrCl2N3O4/c1-11-19(21)26-8-4-5-16(20(26)24-11)30-9-13-14(22)6-7-15(18(13)23)25(3)17(28)10-29-12(2)27/h4-8H,9-10H2,1-3H3

>  <InChI Key>
HQGKWHKCTUTKFQ-UHFFFAOYSA-N

