
 CHEMBL154188

 49 51  0  0  0  0  0  0  0  0999 V2000
   14.3950   -6.5834   -3.0577 C   0  0  0  0  0
   13.4855   -5.4441   -2.7988 C   0  0  0  0  0
   13.6675   -4.1023   -3.0514 C   0  0  0  0  0
   12.5438   -3.4635   -2.5855 N   0  0  0  0  0
   12.2334   -2.1041   -2.5535 C   0  0  0  0  0
   11.0633   -1.7089   -2.0297 C   0  0  0  0  0
   10.1414   -2.7148   -1.5303 C   0  0  0  0  0
   10.4269   -4.0390   -1.5735 C   0  0  0  0  0
   11.6957   -4.4601   -2.0994 C   0  0  0  0  0
   12.2546   -5.6534   -2.2160 N   0  0  0  0  0
    9.6138   -5.0746   -1.1704 O   0  0  0  0  0
    8.3184   -4.7383   -0.6734 C   0  0  0  0  0
    7.5759   -6.0068   -0.3237 C   0  0  0  0  0
    6.5935   -6.5413   -1.1790 C   0  0  0  0  0
    5.9280   -7.7302   -0.8629 C   0  0  0  0  0
    6.2305   -8.4138    0.3100 C   0  0  0  0  0
    7.1908   -7.9044    1.1903 C   0  0  0  0  0
    7.8736   -6.7097    0.8671 C   0  0  0  0  0
    9.1793   -6.1688    1.8891 Cl  0  0  0  0  0
    7.4532   -8.6356    2.3875 N   0  0  0  0  0
    7.9779   -9.9889    2.2210 C   0  0  0  0  0
    7.1771   -8.0578    3.6269 C   0  0  0  0  0
    6.6805   -6.9353    3.7633 O   0  0  0  0  0
    7.5390   -8.9192    4.8519 C   0  0  0  0  0
    7.2271   -8.2514    6.1040 N   0  0  0  0  0
    6.0553   -8.5109    6.7764 C   0  0  0  0  0
    5.2440   -9.3624    6.4290 O   0  0  0  0  0
    5.8625   -7.6694    8.0094 C   0  0  0  0  0
    6.1422   -5.7817   -2.6677 Cl  0  0  0  0  0
   15.1613   -3.3234   -3.8558 Br  0  0  0  0  0
   13.9239   -7.5318   -2.7830 H   0  0  0  0  0
   15.3130   -6.4794   -2.4703 H   0  0  0  0  0
   14.6635   -6.6326   -4.1172 H   0  0  0  0  0
   12.9607   -1.4078   -2.9522 H   0  0  0  0  0
   10.7807   -0.6624   -1.9789 H   0  0  0  0  0
    9.2055   -2.3360   -1.1373 H   0  0  0  0  0
    7.7736   -4.1543   -1.4217 H   0  0  0  0  0
    8.3968   -4.1022    0.2173 H   0  0  0  0  0
    5.1638   -8.1270   -1.5284 H   0  0  0  0  0
    5.6866   -9.3244    0.5500 H   0  0  0  0  0
    8.1848  -10.2201    1.1718 H   0  0  0  0  0
    7.2601  -10.7088    2.6228 H   0  0  0  0  0
    8.9177  -10.0709    2.7777 H   0  0  0  0  0
    8.6162   -9.0913    4.8534 H   0  0  0  0  0
    7.0045   -9.8720    4.7986 H   0  0  0  0  0
    7.6477   -7.3401    6.2416 H   0  0  0  0  0
    6.8022   -7.2086    8.3290 H   0  0  0  0  0
    5.5076   -8.3077    8.8241 H   0  0  0  0  0
    5.1284   -6.8856    7.8067 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
  8 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
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 12 38  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
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 18 19  1  0  0  0
 20 22  1  0  0  0
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 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
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 24 45  1  0  0  0
 25 26  1  0  0  0
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 28 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL154188

>  <PubChem CID>
10601892

>  <Formula>
C20H19BrCl2N4O3

>  <Molecular Weight>
514.201000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H19BrCl2N4O3/c1-11-19(21)27-8-4-5-16(20(27)25-11)30-10-13-14(22)6-7-15(18(13)23)26(3)17(29)9-24-12(2)28/h4-8H,9-10H2,1-3H3,(H,24,28)

>  <InChI Key>
AVLLBMJSRITQLF-UHFFFAOYSA-N

