
 CHEMBL301103

 78 81  0  0  0  0  0  0  0  0999 V2000
    1.1994   -0.0319    0.6624 C   0  0  0  0  0
    2.6806    0.1943    0.4233 C   0  0  0  0  0
    3.2044    1.4470    0.4260 C   0  0  0  0  0
    4.6789    1.6224    0.2360 C   0  0  0  0  0
    5.2186    2.7063    0.0527 O   0  0  0  0  0
    5.4260    0.4397    0.2349 N   0  0  0  0  0
    6.8097    0.2529    0.2225 C   0  0  0  0  0
    6.9945   -1.1060   -0.0178 C   0  0  0  0  0
    5.7700   -1.7427    0.0327 N   0  0  0  0  0
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    3.4949   -0.9433    0.2219 N   0  0  0  0  0
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    8.1086    1.0695    2.8155 C   0  0  0  0  0
    8.3542    3.2645    1.8000 C   0  0  0  0  0
    8.1533    4.1172    3.0617 C   0  0  0  0  0
    8.9140    5.3237    2.9197 O   0  0  0  0  0
    8.7990    6.1531    4.0673 C   0  0  0  0  0
    2.3812    2.6663    0.5373 C   0  0  0  0  0
    1.9729    3.3365   -0.6237 C   0  0  0  0  0
    1.2119    4.5046   -0.5418 C   0  0  0  0  0
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    1.2146    4.3164    1.8701 C   0  0  0  0  0
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    0.8866    5.0732   -1.7433 O   0  0  0  0  0
    0.6389    6.4744   -1.7128 C   0  0  0  0  0
    0.6893    0.8253    1.1082 H   0  0  0  0  0
    1.0414   -0.8543    1.3682 H   0  0  0  0  0
    0.6897   -0.2528   -0.2763 H   0  0  0  0  0
    2.0350   -2.4963    0.3846 H   0  0  0  0  0
    3.6495   -3.0781    0.2296 H   0  0  0  0  0
    4.8872   -2.7868   -2.0567 H   0  0  0  0  0
    4.5850   -2.9807   -4.4908 H   0  0  0  0  0
    2.3217   -2.7643   -5.4921 H   0  0  0  0  0
    0.3535   -2.3873   -4.0107 H   0  0  0  0  0
    7.0637   -3.7656   -0.8346 H   0  0  0  0  0
    8.6976   -3.7578   -1.4935 H   0  0  0  0  0
    7.4476   -2.7337   -2.2175 H   0  0  0  0  0
    9.8845   -0.5018   -0.3858 H   0  0  0  0  0
    8.9524   -0.6110   -1.8917 H   0  0  0  0  0
   10.1066   -1.8740   -1.4318 H   0  0  0  0  0
    9.2476   -3.7583    3.1631 H   0  0  0  0  0
   10.3397   -4.6591    2.0564 H   0  0  0  0  0
    8.7641   -5.3350    2.5171 H   0  0  0  0  0
    7.5687    2.1303   -0.3502 H   0  0  0  0  0
    8.7951    1.0756    0.2886 H   0  0  0  0  0
    7.5698    0.1167    2.7964 H   0  0  0  0  0
    7.9266    1.4791    3.8140 H   0  0  0  0  0
    9.1805    0.8674    2.7142 H   0  0  0  0  0
    8.0293    3.8841    0.9526 H   0  0  0  0  0
    9.4293    3.0980    1.6450 H   0  0  0  0  0
    8.5059    3.5889    3.9532 H   0  0  0  0  0
    7.0930    4.3668    3.1849 H   0  0  0  0  0
    9.3890    7.0580    3.8979 H   0  0  0  0  0
    9.1938    5.6408    4.9502 H   0  0  0  0  0
    7.7564    6.4403    4.2315 H   0  0  0  0  0
    2.2671    2.9661   -1.6034 H   0  0  0  0  0
    0.1961    5.8668    0.8063 H   0  0  0  0  0
    0.9085    4.6944    2.8422 H   0  0  0  0  0
    2.3124    2.6648    2.7009 H   0  0  0  0  0
    0.6035    6.8296   -2.7475 H   0  0  0  0  0
    1.4452    7.0131   -1.2028 H   0  0  0  0  0
   -0.3308    6.6912   -1.2541 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
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  2 11  1  0  0  0
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  3 34  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
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  6 10  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
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 25 26  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL301103

>  <PubChem CID>
10929801

>  <Formula>
C31H37FN4O5

>  <Molecular Weight>
564.658000

>  <IUPAC Name>
methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C(=O)OC)CN(C)CCOC)C4=CC(=CC=C4)OC

>  <Isomeric SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C(=O)OC)CN(C)CCOC)C4=CC(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C31H37FN4O5/c1-20-26(21-12-10-13-23(17-21)40-6)28(37)36-25(19-34(4)15-16-39-5)27(31(2,3)29(38)41-7)33-30(36)35(20)18-22-11-8-9-14-24(22)32/h8-14,17H,15-16,18-19H2,1-7H3

>  <InChI Key>
AXEKRUVFUPEUSM-UHFFFAOYSA-N

