
 CHEMBL88218

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.0412   -8.6021    3.1718 C   0  0  0  0  0
    3.6518   -8.3844    4.5518 C   0  0  0  0  0
    4.7942   -7.3694    4.5081 C   0  0  0  0  0
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    3.5327   -5.2735    4.7618 N   0  0  0  0  0
    3.4284   -3.9040    4.6871 C   0  0  0  0  0
    4.0295   -3.2172    3.8674 O   0  0  0  0  0
    2.5008   -3.2868    5.7159 C   0  0  0  0  0
    1.0494   -3.7242    5.5598 C   0  0  0  0  0
    0.4839   -3.3802    4.1849 C   0  0  0  0  0
   -0.8602   -3.8689    4.1296 O   0  0  0  0  0
   -1.3219   -4.1527    2.8739 C   0  0  0  0  0
   -0.8733   -3.5413    1.7045 C   0  0  0  0  0
   -1.3644   -3.9528    0.4565 C   0  0  0  0  0
   -0.8755   -3.3734   -0.7246 C   0  0  0  0  0
   -1.3864   -3.8625   -1.8947 C   0  0  0  0  0
   -2.3428   -4.8667   -1.8801 C   0  0  0  0  0
   -2.6521   -5.1645   -3.1974 N   0  0  0  0  0
   -1.8898   -4.3514   -4.0378 C   0  0  0  0  0
   -1.8979   -4.3491   -5.2565 O   0  0  0  0  0
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    3.7800   -9.0836    2.5190 H   0  0  0  0  0
    2.1898   -9.2878    3.2485 H   0  0  0  0  0
    4.0250   -9.3377    4.9430 H   0  0  0  0  0
    2.8741   -8.0431    5.2453 H   0  0  0  0  0
    5.1654   -7.1971    5.5257 H   0  0  0  0  0
    5.6251   -7.8020    3.9364 H   0  0  0  0  0
    5.2932   -5.4420    3.7017 H   0  0  0  0  0
    3.3422   -5.3225    2.0842 H   0  0  0  0  0
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    1.1026   -3.8549    3.4141 H   0  0  0  0  0
    0.4783   -2.2941    4.0375 H   0  0  0  0  0
   -0.1328   -2.7475    1.7471 H   0  0  0  0  0
   -0.1230   -2.5943   -0.7176 H   0  0  0  0  0
   -3.3098   -5.8639   -3.4925 H   0  0  0  0  0
   -0.4478   -2.8522   -3.5564 H   0  0  0  0  0
   -3.5798   -6.3062    1.5238 H   0  0  0  0  0
   -2.6876   -5.5890    3.7120 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 13 14  1  0  0  0
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 15 16  1  0  0  0
 15 46  1  0  0  0
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 18 19  2  0  0  0
 18 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88218

>  <PubChem CID>
9999105

>  <Formula>
C20H24N4O3

>  <Molecular Weight>
368.437000

>  <IUPAC Name>
N-cyclohexyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)CCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)CCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2

>  <InChI Std. ID>
InChI=1S/C20H24N4O3/c25-18(21-14-5-2-1-3-6-14)7-4-10-27-15-8-9-16-13(11-15)12-17-19(22-16)24-20(26)23-17/h8-9,11-12,14H,1-7,10H2,(H,21,25)(H2,22,23,24,26)

>  <InChI Key>
AUZJVEDTLNZEHH-UHFFFAOYSA-N

