
 CHEMBL544600

 61 63  0  0  0  0  0  0  0  0999 V2000
    3.4213    0.5827    2.8832 C   0  0  0  0  0
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    3.8567  -12.2320    1.0252 C   0  0  0  0  0
    6.7626   -4.9917   -3.2536 Cl  0  0  0  0  0
    5.7622    3.1179    2.5715 Br  0  0  0  0  0
    0.7109    2.7246    1.1675 Cl  0  0  0  0  0
    2.5741    0.4027    2.1899 H   0  0  0  0  0
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    8.1931    2.1909    1.0355 H   0  0  0  0  0
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    5.1706   -7.2500   -2.7021 H   0  0  0  0  0
    4.3146   -8.2491   -0.6374 H   0  0  0  0  0
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    4.2970  -11.7726    1.9023 H   0  0  0  0  0
    1.4953    3.1983    2.1933 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
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  2  3  2  0  0  0
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  3 36  1  0  0  0
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  5 41  1  0  0  0
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  6 42  1  0  0  0
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 37 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544600

>  <PubChem CID>
45261914

>  <Formula>
C26H24BrCl3N4O3

>  <Molecular Weight>
626.757000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)CC4=CC=CC=C4)Cl)Br.Cl

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)CC4=CC=CC=C4)Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C26H23BrCl2N4O3.ClH/c1-16-25(27)33-12-6-9-21(26(33)31-16)36-15-18-19(28)10-11-20(24(18)29)32(2)23(35)14-30-22(34)13-17-7-4-3-5-8-17;/h3-12H,13-15H2,1-2H3,(H,30,34);1H

>  <InChI Key>
CVPBGXOJMZEITH-UHFFFAOYSA-N

