
 CHEMBL3727521

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.9421   -1.0962   -1.0088 C   0  0  0  0  0
    2.7596   -1.6688   -0.2422 C   0  0  0  0  0
    2.7445   -1.1906    1.1721 C   0  0  0  0  0
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    3.1482   -1.0139    3.2773 C   0  0  0  0  0
    2.3699    0.0868    2.9500 C   0  0  0  0  0
    2.0944   -0.0548    1.6139 N   0  0  0  0  0
    1.3413    0.9073    0.8270 C   0  0  0  0  0
   -0.1278    0.5700    0.7303 C   0  0  0  0  0
   -0.9523    0.5976    1.8627 C   0  0  0  0  0
   -2.3237    0.3326    1.7615 C   0  0  0  0  0
   -2.9097    0.0224    0.5325 C   0  0  0  0  0
   -2.0858    0.0073   -0.6004 C   0  0  0  0  0
   -0.7137    0.2771   -0.5067 C   0  0  0  0  0
   -4.2859   -0.2127    0.3778 N   0  0  0  0  0
   -5.4016    0.2110    1.1209 C   0  0  0  0  0
   -5.4122    1.3907    1.8723 C   0  0  0  0  0
   -6.5390    1.7630    2.6152 C   0  0  0  0  0
   -7.6670    0.9467    2.6280 C   0  0  0  0  0
   -7.6692   -0.2383    1.9010 C   0  0  0  0  0
   -6.5439   -0.6030    1.1544 C   0  0  0  0  0
    1.9620    1.0800    3.7632 N   0  0  0  0  0
    2.3746    0.9203    5.0430 C   0  0  0  0  0
    3.1557   -0.1496    5.4955 C   0  0  0  0  0
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    4.4012   -2.3038    5.0944 C   0  0  0  0  0
    1.9510    1.9814    6.0183 C   0  0  0  0  0
    3.9624   -1.4939   -2.0283 H   0  0  0  0  0
    4.8910   -1.3539   -0.5253 H   0  0  0  0  0
    3.8865   -0.0045   -1.0718 H   0  0  0  0  0
    2.8334   -2.7629   -0.2419 H   0  0  0  0  0
    1.8254   -1.4216   -0.7544 H   0  0  0  0  0
    1.8023    0.9595   -0.1651 H   0  0  0  0  0
    1.4663    1.8998    1.2754 H   0  0  0  0  0
   -0.5395    0.8313    2.8424 H   0  0  0  0  0
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   -6.5618   -1.5417    0.6057 H   0  0  0  0  0
    3.4425   -0.2025    6.5426 H   0  0  0  0  0
    5.2530   -1.9407    5.6795 H   0  0  0  0  0
    4.7959   -2.8935    4.2612 H   0  0  0  0  0
    3.7928   -2.9618    5.7235 H   0  0  0  0  0
    1.3881    1.5345    6.8439 H   0  0  0  0  0
    1.3081    2.7229    5.5321 H   0  0  0  0  0
    2.8287    2.4992    6.4170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 25  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
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 15 16  1  0  0  0
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 22 23  2  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3727521

>  <PubChem CID>
23156166

>  <Formula>
C23H24N4

>  <Molecular Weight>
356.473000

>  <IUPAC Name>
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)NC4=CC=CC=C4)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)NC4=CC=CC=C4)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3

>  <InChI Key>
MCYDACUHEDLRBQ-UHFFFAOYSA-N

