
 CHEMBL156847

 42 44  0  0  0  0  0  0  0  0999 V2000
    6.8555   -1.1106   -4.4645 C   0  0  0  0  0
    6.5956   -0.8373   -3.0327 C   0  0  0  0  0
    6.5145    0.3643   -2.3655 C   0  0  0  0  0
    6.2303    0.0648   -1.0546 N   0  0  0  0  0
    6.0354    0.9127    0.0361 C   0  0  0  0  0
    5.7499    0.3860    1.2370 C   0  0  0  0  0
    5.6463   -1.0575    1.3572 C   0  0  0  0  0
    5.8411   -1.8885    0.3145 C   0  0  0  0  0
    6.1535   -1.3310   -0.9749 C   0  0  0  0  0
    6.3857   -1.8769   -2.1555 N   0  0  0  0  0
    5.6933   -3.2483    0.5212 O   0  0  0  0  0
    6.0727   -4.1612   -0.5081 C   0  0  0  0  0
    5.6651   -5.5476   -0.0507 C   0  0  0  0  0
    6.5906   -6.4734    0.4806 C   0  0  0  0  0
    6.1768   -7.7637    0.9019 C   0  0  0  0  0
    4.8179   -8.1067    0.8079 C   0  0  0  0  0
    3.8937   -7.1941    0.3078 C   0  0  0  0  0
    4.3116   -5.9324   -0.1167 C   0  0  0  0  0
    3.0766   -4.8727   -0.7111 Cl  0  0  0  0  0
    4.2197   -9.6722    1.2441 Cl  0  0  0  0  0
    7.1310   -8.7099    1.3944 N   0  0  0  0  0
    7.0322   -9.1056    2.7933 C   0  0  0  0  0
    8.0333   -9.2752    0.4951 C   0  0  0  0  0
    8.0270   -9.0378   -0.7138 O   0  0  0  0  0
    9.0345  -10.2444    1.0750 C   0  0  0  0  0
    8.2476   -5.9934    0.7355 Cl  0  0  0  0  0
    6.7375    2.0581   -3.1180 Br  0  0  0  0  0
    6.8153   -2.1849   -4.6708 H   0  0  0  0  0
    7.8462   -0.7467   -4.7532 H   0  0  0  0  0
    6.1055   -0.6199   -5.0929 H   0  0  0  0  0
    6.1208    1.9794   -0.1283 H   0  0  0  0  0
    5.5873    1.0031    2.1140 H   0  0  0  0  0
    5.3925   -1.4608    2.3335 H   0  0  0  0  0
    7.1466   -4.0811   -0.7019 H   0  0  0  0  0
    5.5537   -3.9563   -1.4496 H   0  0  0  0  0
    2.8436   -7.4686    0.2357 H   0  0  0  0  0
    7.9862   -8.8968    3.2864 H   0  0  0  0  0
    6.8319  -10.1793    2.8567 H   0  0  0  0  0
    6.2459   -8.5507    3.3143 H   0  0  0  0  0
    9.6271   -9.7593    1.8546 H   0  0  0  0  0
    9.7180  -10.5737    0.2863 H   0  0  0  0  0
    8.5233  -11.1243    1.4739 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  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 34  1  0  0  0
 12 35  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 21  1  0  0  0
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 18 19  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
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 25 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL156847

>  <PubChem CID>
11799290

>  <Formula>
C18H15BrCl3N3O2

>  <Molecular Weight>
491.591000

>  <IUPAC Name>
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4,6-trichlorophenyl]-N-methylacetamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C18H15BrCl3N3O2/c1-9-17(19)25-6-4-5-14(18(25)23-9)27-8-11-12(20)7-13(21)16(15(11)22)24(3)10(2)26/h4-7H,8H2,1-3H3

>  <InChI Key>
AYAKZDWRFVQFCP-UHFFFAOYSA-N

