
 CHEMBL50546

 80 84  0  0  0  0  0  0  0  0999 V2000
    1.2162   -0.1211    0.8667 C   0  0  0  0  0
    2.6759    0.0624    0.4898 C   0  0  0  0  0
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    3.6768   -3.2107    0.1370 H   0  0  0  0  0
    4.5691   -2.9179   -2.2394 H   0  0  0  0  0
    3.9477   -2.9980   -4.6273 H   0  0  0  0  0
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   10.0084   -2.1560   -1.5916 H   0  0  0  0  0
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    8.1345   -2.9087    1.6737 H   0  0  0  0  0
    7.5495    1.9643   -0.6105 H   0  0  0  0  0
    8.7685    0.9187    0.0685 H   0  0  0  0  0
    7.4855    0.0823    2.6164 H   0  0  0  0  0
    7.8850    1.4716    3.5806 H   0  0  0  0  0
    9.1204    0.7705    2.5153 H   0  0  0  0  0
    8.1317    3.7252    0.6007 H   0  0  0  0  0
    9.4609    2.9391    1.4392 H   0  0  0  0  0
    8.3349    3.5850    3.6512 H   0  0  0  0  0
    7.0425    4.3511    2.7373 H   0  0  0  0  0
    7.4580    6.5230    1.6267 H   0  0  0  0  0
    8.9340    8.5223    1.5034 H   0  0  0  0  0
   11.2493    8.3848    2.4342 H   0  0  0  0  0
   11.9906    6.2297    3.4541 H   0  0  0  0  0
    2.4224    2.9726   -1.5885 H   0  0  0  0  0
    0.1590    5.7230    0.8234 H   0  0  0  0  0
    0.7141    4.4264    2.8326 H   0  0  0  0  0
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   -0.1574    6.7050   -1.1875 H   0  0  0  0  0
  1  2  1  0  0  0
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  6 10  1  0  0  0
  7  8  2  0  0  0
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  8 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL50546

>  <PubChem CID>
9829468

>  <Formula>
C34H38FN5O2

>  <Molecular Weight>
567.709000

>  <IUPAC Name>
2-tert-butyl-8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C)CN(C)CCC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <Isomeric SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C)CN(C)CCC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C34H38FN5O2/c1-23-30(24-13-11-15-27(20-24)42-6)32(41)40-29(22-38(5)19-17-26-14-9-10-18-36-26)31(34(2,3)4)37-33(40)39(23)21-25-12-7-8-16-28(25)35/h7-16,18,20H,17,19,21-22H2,1-6H3

>  <InChI Key>
AGCGNLBZIDUYNA-UHFFFAOYSA-N

