
 CHEMBL68664

 72 76  0  0  0  0  0  0  0  0999 V2000
    3.7189   -0.0840   -3.5320 C   0  0  0  0  0
    2.8852    0.2813   -2.3162 C   0  0  0  0  0
    3.3246    1.5467   -1.8001 O   0  0  0  0  0
    4.3355    1.4955   -0.8911 C   0  0  0  0  0
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    4.8298    2.8584   -0.6279 C   0  0  0  0  0
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    4.3795    5.2074   -0.3281 N   0  0  0  0  0
    5.7072    5.5063   -0.2920 C   0  0  0  0  0
    6.2931    6.6783   -0.2828 N   0  0  0  0  0
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    7.1524    2.2692   -0.5349 O   0  0  0  0  0
    9.1152    4.2946    0.2717 C   0  0  0  0  0
    9.3358    4.2442    1.7329 N   0  0  0  0  0
    8.3187    3.4283    2.4081 C   0  0  0  0  0
   10.6832    3.6981    2.0019 C   0  0  0  0  0
   11.1352    3.8753    3.4382 C   0  0  0  0  0
   11.0457    2.8179    4.3567 C   0  0  0  0  0
   11.4451    2.9933    5.6833 C   0  0  0  0  0
   11.9496    4.2229    6.1025 C   0  0  0  0  0
   12.0469    5.2798    5.1995 C   0  0  0  0  0
   11.6344    5.1104    3.8763 C   0  0  0  0  0
    8.6173    7.4812   -0.2767 C   0  0  0  0  0
    9.6901    7.4263   -1.1729 C   0  0  0  0  0
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   10.3894    9.6540   -0.5126 C   0  0  0  0  0
    9.3120    9.7214    0.3706 C   0  0  0  0  0
    8.4283    8.6408    0.4833 C   0  0  0  0  0
   11.3005   10.6485   -0.7381 O   0  0  0  0  0
   11.4272   11.6264    0.2868 C   0  0  0  0  0
    3.4332    6.3006   -0.0599 C   0  0  0  0  0
    3.1797    6.4430    1.4223 C   0  0  0  0  0
    4.0211    7.2269    2.2268 C   0  0  0  0  0
    3.7974    7.3282    3.6022 C   0  0  0  0  0
    2.7323    6.6464    4.1901 C   0  0  0  0  0
    1.8934    5.8601    3.4024 C   0  0  0  0  0
    2.1241    5.7623    2.0324 C   0  0  0  0  0
    1.3117    4.9916    1.2946 F   0  0  0  0  0
    3.3830   -1.0294   -3.9671 H   0  0  0  0  0
    4.7775   -0.1743   -3.2682 H   0  0  0  0  0
    3.6487    0.6999   -4.2936 H   0  0  0  0  0
    2.9240   -0.5043   -1.5529 H   0  0  0  0  0
    1.8366    0.3973   -2.6093 H   0  0  0  0  0
    2.9027    3.7632   -0.5856 H   0  0  0  0  0
    9.9598    4.8200   -0.1898 H   0  0  0  0  0
    9.1420    3.2939   -0.1668 H   0  0  0  0  0
    7.3143    3.8376    2.2663 H   0  0  0  0  0
    8.4615    3.4276    3.4931 H   0  0  0  0  0
    8.3237    2.3895    2.0596 H   0  0  0  0  0
   11.4265    4.2133    1.3777 H   0  0  0  0  0
   10.7439    2.6386    1.7174 H   0  0  0  0  0
   10.6471    1.8548    4.0457 H   0  0  0  0  0
   11.3578    2.1720    6.3896 H   0  0  0  0  0
   12.2622    4.3592    7.1341 H   0  0  0  0  0
   12.4377    6.2398    5.5258 H   0  0  0  0  0
   11.6981    5.9467    3.1835 H   0  0  0  0  0
    9.8348    6.5617   -1.8148 H   0  0  0  0  0
   11.3906    8.4605   -1.9982 H   0  0  0  0  0
    9.1119   10.6073    0.9625 H   0  0  0  0  0
    7.5748    8.7144    1.1541 H   0  0  0  0  0
   12.2542   12.2893    0.0137 H   0  0  0  0  0
   11.6742   11.1590    1.2462 H   0  0  0  0  0
   10.5257   12.2416    0.3669 H   0  0  0  0  0
    2.4851    6.1155   -0.5825 H   0  0  0  0  0
    3.7927    7.2550   -0.4683 H   0  0  0  0  0
    4.8657    7.7533    1.7840 H   0  0  0  0  0
    4.4609    7.9344    4.2148 H   0  0  0  0  0
    2.5618    6.7242    5.2609 H   0  0  0  0  0
    1.0644    5.3190    3.8480 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
  2  3  1  0  0  0
  2 45  1  0  0  0
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  3  4  1  0  0  0
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  6 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL68664

>  <PubChem CID>
44309671

>  <Formula>
C32H31FN4O4

>  <Molecular Weight>
554.622000

>  <IUPAC Name>
ethyl 3-[[benzyl(methyl)amino]methyl]-8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC(=O)C1=CN(C2=NC(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5F

>  <Isomeric SMILES>
CCOC(=O)C1=CN(C2=NC(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5F

>  <InChI Std. ID>
InChI=1S/C32H31FN4O4/c1-4-41-31(39)26-20-36(19-24-12-8-9-13-27(24)33)32-34-29(23-14-16-25(40-3)17-15-23)28(37(32)30(26)38)21-35(2)18-22-10-6-5-7-11-22/h5-17,20H,4,18-19,21H2,1-3H3

>  <InChI Key>
AYWPWTKQQDXIRF-UHFFFAOYSA-N

