
 CHEMBL2163953

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.5937   -1.9799   -0.6908 C   0  0  0  0  0
    1.9909   -1.6510   -0.1756 C   0  0  0  0  0
    2.0600   -0.3535    0.6724 C   0  0  0  0  0
    3.4603   -0.1265    1.0971 N   0  0  0  0  0
    3.9987    1.1170    1.3727 C   0  0  0  0  0
    5.2201    1.3505    1.8828 C   0  0  0  0  0
    6.0491    0.1582    2.2103 C   0  0  0  0  0
    7.1645    0.2705    2.7180 O   0  0  0  0  0
    5.4950   -1.1869    1.9216 C   0  0  0  0  0
    4.2167   -1.2923    1.3511 C   0  0  0  0  0
    3.7151   -2.5789    1.0875 C   0  0  0  0  0
    4.4457   -3.7198    1.4246 C   0  0  0  0  0
    5.7075   -3.5966    2.0036 C   0  0  0  0  0
    6.2376   -2.3304    2.2471 C   0  0  0  0  0
    2.4776   -2.8018    0.5348 O   0  0  0  0  0
    5.6520    2.7642    2.0877 C   0  0  0  0  0
    4.9191    3.7113    1.8171 O   0  0  0  0  0
    6.9213    2.9127    2.5847 N   0  0  0  0  0
    7.5067    4.2026    2.9187 C   0  0  0  0  0
    7.0289    4.6946    4.2915 C   0  0  0  0  0
    7.6221    3.8824    5.4425 C   0  0  0  0  0
    9.1454    3.8342    5.3721 C   0  0  0  0  0
    9.6357    3.3260    4.0201 C   0  0  0  0  0
    9.0379    4.1268    2.8625 C   0  0  0  0  0
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    1.3906   -0.8106    3.1208 C   0  0  0  0  0
    0.4746   -0.7341    4.1725 C   0  0  0  0  0
   -0.7688   -0.1439    3.9727 C   0  0  0  0  0
   -1.0954    0.3749    2.7228 C   0  0  0  0  0
   -0.1747    0.3074    1.6735 C   0  0  0  0  0
    0.6383   -2.8365   -1.3732 H   0  0  0  0  0
    0.1569   -1.1345   -1.2313 H   0  0  0  0  0
   -0.0775   -2.2747    0.1226 H   0  0  0  0  0
    2.6326   -1.5220   -1.0605 H   0  0  0  0  0
    1.7963    0.4735   -0.0025 H   0  0  0  0  0
    3.3299    1.9426    1.1343 H   0  0  0  0  0
    4.0284   -4.7054    1.2328 H   0  0  0  0  0
    6.2755   -4.4858    2.2658 H   0  0  0  0  0
    7.2214   -2.2367    2.7022 H   0  0  0  0  0
    7.4230    2.0648    2.8522 H   0  0  0  0  0
    7.1640    4.9160    2.1590 H   0  0  0  0  0
    5.9348    4.6656    4.3543 H   0  0  0  0  0
    7.3245    5.7444    4.4136 H   0  0  0  0  0
    7.3144    4.3236    6.3976 H   0  0  0  0  0
    7.2210    2.8618    5.4212 H   0  0  0  0  0
    9.5498    4.8383    5.5505 H   0  0  0  0  0
    9.5310    3.1894    6.1700 H   0  0  0  0  0
   10.7292    3.3864    3.9803 H   0  0  0  0  0
    9.3778    2.2656    3.9141 H   0  0  0  0  0
    9.4450    5.1454    2.8939 H   0  0  0  0  0
    9.3614    3.6852    1.9119 H   0  0  0  0  0
    2.3490   -1.2802    3.3196 H   0  0  0  0  0
    0.7359   -1.1363    5.1477 H   0  0  0  0  0
   -1.4822   -0.0868    4.7915 H   0  0  0  0  0
   -2.0683    0.8343    2.5647 H   0  0  0  0  0
   -0.4577    0.7243    0.7086 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
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 27 28  2  0  0  0
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 28 29  1  0  0  0
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 29 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2163953

>  <PubChem CID>
60195576

>  <Formula>
C25H26N2O3

>  <Molecular Weight>
402.494000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1C(N2C=C(C(=O)C3=C2C(=CC=C3)O1)C(=O)NC4CCCCC4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1C(N2C=C(C(=O)C3=C2C(=CC=C3)O1)C(=O)NC4CCCCC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H26N2O3/c1-16-22(17-9-4-2-5-10-17)27-15-20(25(29)26-18-11-6-3-7-12-18)24(28)19-13-8-14-21(30-16)23(19)27/h2,4-5,8-10,13-16,18,22H,3,6-7,11-12H2,1H3,(H,26,29)

>  <InChI Key>
FXXPMGSAZPNOGM-UHFFFAOYSA-N

