
 MLS003124222

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    5.0365    2.6905    0.4228 C   0  0  0  0  0
    4.3379    3.6696   -0.2951 C   0  0  0  0  0
    3.0103    3.4206   -0.6649 C   0  0  0  0  0
    2.3837    2.2194   -0.3110 C   0  0  0  0  0
    5.0131    4.9054   -0.6804 C   0  0  0  0  0
    6.2007    5.0681   -1.3686 C   0  0  0  0  0
    6.5244    6.3858   -1.5176 N   0  0  0  0  0
    5.5676    7.0618   -0.9139 C   0  0  0  0  0
    4.6067    6.1997   -0.3788 N   0  0  0  0  0
    3.4845    6.6444    0.3272 C   0  0  0  0  0
    3.2789    7.9632    0.5340 C   0  0  0  0  0
    4.2970    8.8765   -0.0038 C   0  0  0  0  0
    5.3752    8.4679   -0.7066 C   0  0  0  0  0
    6.2471    9.4166   -1.1908 N   0  0  0  0  0
    7.3776    9.2616   -1.9400 C   0  0  0  0  0
    8.0361   10.2289   -2.3081 O   0  0  0  0  0
    2.0677    8.4389    1.2563 C   0  0  0  0  0
    1.5319    7.7400    2.3392 C   0  0  0  0  0
    0.3950    8.2207    2.9930 C   0  0  0  0  0
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   -0.0625    7.4785    4.0561 O   0  0  0  0  0
   -1.2180    6.7230    3.6886 C   0  0  0  0  0
    1.4202   -0.4415   -1.0309 H   0  0  0  0  0
    0.3717    0.0397    0.3495 H   0  0  0  0  0
    1.0878   -1.5856    0.2716 H   0  0  0  0  0
    4.9722    0.7442    1.3421 H   0  0  0  0  0
    6.0729    2.8512    0.7152 H   0  0  0  0  0
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    7.6597    8.2351   -2.1996 H   0  0  0  0  0
    1.9863    6.8222    2.7026 H   0  0  0  0  0
    1.8449   10.1756    0.0187 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
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  4  9  1  0  0  0
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M  END

>  <Chemical Name>
MLS003124222

>  <PubChem CID>
46948689

>  <Formula>
C25H23N3O5

>  <Molecular Weight>
445.475000

>  <IUPAC Name>
N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <Isomeric SMILES>
CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C25H23N3O5/c1-15(30)16-5-7-17(8-6-16)21-12-26-25-20(27-14-29)9-19(13-28(21)25)18-10-22(31-2)24(33-4)23(11-18)32-3/h5-14H,1-4H3,(H,27,29)

>  <InChI Key>
AMKIMNGSXRZXKP-UHFFFAOYSA-N

