
 CHEMBL3353493

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.9384    0.6475    1.2721 C   0  0  0  0  0
    3.2188    0.3908    0.4723 C   0  0  0  0  0
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    4.1599   -4.3951    1.9970 C   0  0  0  0  0
    4.1029   -5.1391    3.1595 C   0  0  0  0  0
    3.7511   -6.4372    2.9133 N   0  0  0  0  0
    3.5716   -6.5051    1.6116 C   0  0  0  0  0
    3.7957   -5.2741    0.9929 N   0  0  0  0  0
    3.6690   -5.0877   -0.3857 C   0  0  0  0  0
    3.3165   -6.1249   -1.1648 C   0  0  0  0  0
    3.0888   -7.4231   -0.5508 C   0  0  0  0  0
    3.2101   -7.6017    0.7783 C   0  0  0  0  0
    2.9715    0.2957   -1.1077 C   0  0  0  0  0
    2.9684   -0.7841   -1.7179 O   0  0  0  0  0
    2.7667    1.4903   -1.8255 N   0  0  0  0  0
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    2.4617    1.4036   -3.2561 C   0  0  0  0  0
    3.5568    1.9530   -4.1431 C   0  0  0  0  0
    3.5012    3.2755   -4.6128 C   0  0  0  0  0
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    5.6500    1.6499   -5.3398 C   0  0  0  0  0
    4.6448    1.1473   -4.5087 C   0  0  0  0  0
    6.8172    3.5844   -6.8192 Cl  0  0  0  0  0
    2.1227    0.6319    2.3525 H   0  0  0  0  0
    1.1755   -0.1062    1.0503 H   0  0  0  0  0
    1.5042    1.6224    1.0332 H   0  0  0  0  0
    4.2805    2.0762    1.5425 H   0  0  0  0  0
    5.1481    1.4865    0.1080 H   0  0  0  0  0
    5.9838   -0.3500    1.4466 H   0  0  0  0  0
    4.8354    0.0287    2.7752 H   0  0  0  0  0
    4.8964   -2.5623    2.7567 H   0  0  0  0  0
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    3.8377   -4.0958   -0.7845 H   0  0  0  0  0
    3.1862   -6.0163   -2.2360 H   0  0  0  0  0
    2.8114   -8.2494   -1.1978 H   0  0  0  0  0
    3.0405   -8.5664    1.2416 H   0  0  0  0  0
    2.7876    2.8618   -0.2053 H   0  0  0  0  0
    2.2488    3.5191   -1.7504 H   0  0  0  0  0
    3.9777    3.1470   -1.4861 H   0  0  0  0  0
    1.5316    1.9616   -3.4234 H   0  0  0  0  0
    2.2393    0.3744   -3.5596 H   0  0  0  0  0
    2.6673    3.9205   -4.3440 H   0  0  0  0  0
    4.4544    4.8052   -5.7928 H   0  0  0  0  0
    6.4805    1.0112   -5.6281 H   0  0  0  0  0
    4.7045    0.1188   -4.1551 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
  2  5  1  0  0  0
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  2 18  1  0  0  0
  3  4  1  0  0  0
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  3 34  1  0  0  0
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  4 36  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353493

>  <PubChem CID>
118719613

>  <Formula>
C22H23ClN4O2

>  <Molecular Weight>
410.902000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-1-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N,2-dimethylazetidine-2-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CN=C3N2C=CC=C3)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CN=C3N2C=CC=C3)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H23ClN4O2/c1-22(21(29)25(2)15-16-6-8-17(23)9-7-16)10-12-27(22)20(28)13-18-14-24-19-5-3-4-11-26(18)19/h3-9,11,14H,10,12-13,15H2,1-2H3

>  <InChI Key>
JIVMYXZAPCUAQZ-UHFFFAOYSA-N

