
 CHEMBL3228810

 63 66  0  0  0  0  0  0  0  0999 V2000
    1.0164   -4.3592    2.2815 C   0  0  0  0  0
    2.4997   -4.3189    2.5217 C   0  0  0  0  0
    2.9780   -3.8090    3.7333 C   0  0  0  0  0
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    5.2507   -4.1700    3.0511 N   0  0  0  0  0
    4.7986   -4.6965    1.8862 C   0  0  0  0  0
    3.4298   -4.8006    1.5841 C   0  0  0  0  0
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    3.9460   -5.8797   -0.5240 C   0  0  0  0  0
    5.3901   -5.7763   -0.2325 C   0  0  0  0  0
    6.1718   -6.2372   -1.0603 O   0  0  0  0  0
    5.7558   -5.1791    0.9599 N   0  0  0  0  0
    7.1802   -5.0442    1.2936 C   0  0  0  0  0
    7.8156   -3.7531    0.7402 C   0  0  0  0  0
    9.2495   -3.4998    1.0189 N   0  0  0  0  0
    9.5690   -3.1939    2.4420 C   0  0  0  0  0
   11.0708   -2.9070    2.7299 C   0  0  0  0  0
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    9.2530   -0.6511    2.3110 C   0  0  0  0  0
    8.8093   -1.9530    2.9850 C   0  0  0  0  0
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    9.4269   -5.5426   -1.8632 C   0  0  0  0  0
   10.0888   -4.3285   -1.2373 C   0  0  0  0  0
    4.8839   -3.2781    5.2761 C   0  0  0  0  0
    0.4686   -3.8215    3.0638 H   0  0  0  0  0
    0.6586   -5.3940    2.2717 H   0  0  0  0  0
    0.7675   -3.8751    1.3309 H   0  0  0  0  0
    2.2897   -3.4636    4.4982 H   0  0  0  0  0
    1.9708   -5.5259    0.0850 H   0  0  0  0  0
    3.6817   -6.3570   -1.4610 H   0  0  0  0  0
    7.6792   -5.8990    0.8490 H   0  0  0  0  0
    7.3306   -5.1398    2.3746 H   0  0  0  0  0
    7.2241   -2.9012    1.0890 H   0  0  0  0  0
    7.6520   -3.7189   -0.3415 H   0  0  0  0  0
    9.2826   -4.0545    3.0586 H   0  0  0  0  0
   11.7072   -3.7553    2.4584 H   0  0  0  0  0
   11.2051   -2.7962    3.8149 H   0  0  0  0  0
   12.6261   -1.4669    2.3074 H   0  0  0  0  0
   11.5316   -1.7298    0.9594 H   0  0  0  0  0
   10.9745   -0.1786    3.5180 H   0  0  0  0  0
   11.0572    0.4584    1.8800 H   0  0  0  0  0
    8.7096    0.1930    2.7514 H   0  0  0  0  0
    8.9942   -0.6735    1.2462 H   0  0  0  0  0
    9.0046   -1.8674    4.0634 H   0  0  0  0  0
    7.7248   -2.0664    2.9045 H   0  0  0  0  0
   11.1718   -3.8510    0.4276 H   0  0  0  0  0
   10.0920   -5.8639    1.9116 H   0  0  0  0  0
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   10.6251   -7.8660    0.3892 H   0  0  0  0  0
    8.9974   -7.2725    0.3616 H   0  0  0  0  0
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    8.3695   -5.5640   -1.6055 H   0  0  0  0  0
   11.1019   -4.2509   -1.6587 H   0  0  0  0  0
    9.5809   -3.4129   -1.5645 H   0  0  0  0  0
    4.2953   -2.4411    5.6602 H   0  0  0  0  0
    5.9204   -2.9410    5.1698 H   0  0  0  0  0
    4.8565   -4.0975    5.9993 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
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 28 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228810

>  <PubChem CID>
90668676

>  <Formula>
C24H35N3O

>  <Molecular Weight>
381.564000

>  <IUPAC Name>
1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN(C3CCCCC3)C4CCCCC4)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN(C3CCCCC3)C4CCCCC4)C

>  <InChI Std. ID>
InChI=1S/C24H35N3O/c1-18-17-19(2)25-24-22(18)13-14-23(28)27(24)16-15-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-14,17,20-21H,3-12,15-16H2,1-2H3

>  <InChI Key>
JHGWMHKFPNWBKN-UHFFFAOYSA-N

