
 CHEMBL3663383

 52 56  0  0  0  0  0  0  0  0999 V2000
    2.2278   -6.3781    2.8767 C   0  0  0  0  0
    3.2969   -5.5836    2.1753 C   0  0  0  0  0
    3.1297   -4.4954    1.3734 C   0  0  0  0  0
    4.2727   -3.8484    0.8575 N   0  0  0  0  0
    4.4593   -2.6455    0.1849 C   0  0  0  0  0
    5.7918   -2.6264   -0.1741 C   0  0  0  0  0
    6.4657   -3.6858    0.3500 N   0  0  0  0  0
    5.5649   -4.3615    1.0270 C   0  0  0  0  0
    5.7334   -5.4765    1.8847 C   0  0  0  0  0
    4.6592   -6.0507    2.4475 C   0  0  0  0  0
    3.4507   -1.5867   -0.0284 C   0  0  0  0  0
    1.7386   -4.0059    1.1770 C   0  0  0  0  0
    1.0841   -3.6458    2.1568 O   0  0  0  0  0
    1.2133   -3.9764   -0.0882 N   0  0  0  0  0
    1.6398   -4.5290   -1.3576 C   0  0  0  0  0
    0.7204   -5.7589   -1.4613 C   0  0  0  0  0
   -0.5703   -5.2696   -0.7614 C   0  0  0  0  0
   -0.2068   -3.8277   -0.3477 C   0  0  0  0  0
   -0.1891   -2.9536   -1.6180 C   0  0  0  0  0
    1.0949   -3.4601   -2.3363 C   0  0  0  0  0
   -0.1322   -1.4597   -1.2831 C   0  0  0  0  0
   -1.2755   -1.1149   -0.4976 O   0  0  0  0  0
   -1.9933   -0.0320   -0.9464 C   0  0  0  0  0
   -2.7341    0.6502    0.0070 C   0  0  0  0  0
   -3.5275    1.7140   -0.4089 C   0  0  0  0  0
   -3.5633    2.0437   -1.7588 C   0  0  0  0  0
   -2.8009    1.2903   -2.6384 C   0  0  0  0  0
   -2.0194    0.2538   -2.2642 N   0  0  0  0  0
    2.2915   -6.2174    3.9595 H   0  0  0  0  0
    2.3587   -7.4494    2.6856 H   0  0  0  0  0
    1.2127   -6.1267    2.5604 H   0  0  0  0  0
    6.3086   -1.8609   -0.7398 H   0  0  0  0  0
    6.7395   -5.8189    2.0972 H   0  0  0  0  0
    4.7950   -6.8790    3.1390 H   0  0  0  0  0
    3.9155   -0.5998    0.0763 H   0  0  0  0  0
    2.6360   -1.6220    0.6962 H   0  0  0  0  0
    3.0504   -1.6451   -1.0408 H   0  0  0  0  0
    2.7038   -4.7488   -1.4496 H   0  0  0  0  0
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    1.1372   -6.6110   -0.9135 H   0  0  0  0  0
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   -0.7996   -3.4516    0.4889 H   0  0  0  0  0
   -1.0836   -3.1362   -2.2260 H   0  0  0  0  0
    1.8146   -2.6500   -2.4815 H   0  0  0  0  0
    0.8691   -3.8780   -3.3230 H   0  0  0  0  0
   -0.0167   -0.8762   -2.2034 H   0  0  0  0  0
    0.7412   -1.2340   -0.6657 H   0  0  0  0  0
   -2.6898    0.3580    1.0502 H   0  0  0  0  0
   -4.1152    2.2743    0.3124 H   0  0  0  0  0
   -4.1745    2.8637   -2.1185 H   0  0  0  0  0
   -2.8025    1.5060   -3.7030 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
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 11 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3663383

>  <PubChem CID>
90412551

>  <Formula>
C22H24N4O2

>  <Molecular Weight>
376.460000

>  <IUPAC Name>
(3,6-dimethylimidazo[1,2-a]pyridin-5-yl)-[3-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N2C(=CN=C2C=C1)C)C(=O)N3C4CCC3C(C4)COC5=CC=CC=N5

>  <Isomeric SMILES>
CC1=C(N2C(=CN=C2C=C1)C)C(=O)N3C4CCC3C(C4)COC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C22H24N4O2/c1-14-6-9-19-24-12-15(2)25(19)21(14)22(27)26-17-7-8-18(26)16(11-17)13-28-20-5-3-4-10-23-20/h3-6,9-10,12,16-18H,7-8,11,13H2,1-2H3

>  <InChI Key>
AWLDQWBAXSWKMF-UHFFFAOYSA-N

