
 CHEMBL545765

 62 64  0  0  0  0  0  0  0  0999 V2000
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    4.4059   -7.8318    1.4637 N   0  0  0  0  0
    5.1645   -9.0628    1.2762 C   0  0  0  0  0
    3.3547   -7.8011    2.3522 C   0  0  0  0  0
    2.7089   -6.7705    2.4981 O   0  0  0  0  0
    3.0115   -9.0078    3.2160 C   0  0  0  0  0
    1.9188   -8.6941    4.1247 N   0  0  0  0  0
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    0.6464  -10.4354    3.5152 O   0  0  0  0  0
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   -4.0488  -10.8593    5.2955 C   0  0  0  0  0
   -2.9044  -11.6451    5.1485 C   0  0  0  0  0
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   14.5601   -8.0987   -0.4956 Br  0  0  0  0  0
    0.3936   -4.1266   -2.0378 Cl  0  0  0  0  0
   11.0990  -10.4849   -0.7544 H   0  0  0  0  0
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   -0.7818  -11.6851    4.9343 H   0  0  0  0  0
    0.0541   -2.9554   -1.4014 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 44  1  0  0  0
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  7  8  2  0  0  0
  7 46  1  0  0  0
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  9 10  2  0  0  0
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 40 62  1  0  0  0
M  CHG  2  35   1  37  -1
M  END

>  <Chemical Name>
CHEMBL545765

>  <PubChem CID>
18923521

>  <Formula>
C25H22BrCl3N6O5

>  <Molecular Weight>
672.742000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])Cl)Br.Cl

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C25H21BrCl2N6O5.ClH/c1-14-23(26)33-10-4-7-20(24(33)30-14)39-13-17-18(27)8-9-19(22(17)28)32(2)21(35)12-29-25(36)31-15-5-3-6-16(11-15)34(37)38;/h3-11H,12-13H2,1-2H3,(H2,29,31,36);1H

>  <InChI Key>
FRKXDPQOTNMMDP-UHFFFAOYSA-N

