
 CHEMBL2163930

 57 62  0  0  0  0  0  0  0  0999 V2000
    3.7788    6.6604   -5.8000 C   0  0  0  0  0
    3.9604    5.3829   -4.9894 C   0  0  0  0  0
    2.7390    4.9982   -4.1212 C   0  0  0  0  0
    2.4043    6.1429   -3.1449 C   0  0  0  0  0
    1.2577    5.8575   -2.3406 O   0  0  0  0  0
    1.3897    4.6561   -1.6942 C   0  0  0  0  0
    0.6176    4.5033   -0.5389 C   0  0  0  0  0
    0.6785    3.3204    0.1933 C   0  0  0  0  0
    1.4975    2.2825   -0.2429 C   0  0  0  0  0
    2.2497    2.4311   -1.4180 C   0  0  0  0  0
    2.2140    3.6221   -2.1658 C   0  0  0  0  0
    2.9818    3.7443   -3.3527 N   0  0  0  0  0
    3.6033    2.6066   -3.8490 C   0  0  0  0  0
    3.7064    1.4168   -3.2337 C   0  0  0  0  0
    3.0708    1.2943   -1.8987 C   0  0  0  0  0
    3.1882    0.2763   -1.2194 O   0  0  0  0  0
    4.4178    0.3095   -3.9371 C   0  0  0  0  0
    4.9585    0.4788   -5.0273 O   0  0  0  0  0
    4.4098   -0.8969   -3.2835 N   0  0  0  0  0
    5.1041   -2.0718   -3.7842 C   0  0  0  0  0
    6.6141   -2.0512   -3.4468 C   0  0  0  0  0
    6.8279   -2.1984   -1.9273 C   0  0  0  0  0
    6.2166   -3.5184   -1.4280 C   0  0  0  0  0
    6.8858   -4.6962   -2.1570 C   0  0  0  0  0
    6.6674   -4.5675   -3.6742 C   0  0  0  0  0
    7.2860   -3.2430   -4.1582 C   0  0  0  0  0
    5.1554   -4.5672   -3.9681 C   0  0  0  0  0
    4.4763   -3.3819   -3.2526 C   0  0  0  0  0
    4.7106   -3.5293   -1.7354 C   0  0  0  0  0
    4.6208    6.7873   -6.4883 H   0  0  0  0  0
    3.7481    7.5467   -5.1606 H   0  0  0  0  0
    2.8603    6.6214   -6.3932 H   0  0  0  0  0
    4.8529    5.4798   -4.3583 H   0  0  0  0  0
    4.1727    4.5872   -5.7111 H   0  0  0  0  0
    1.8723    4.8222   -4.7725 H   0  0  0  0  0
    2.1592    7.0573   -3.6933 H   0  0  0  0  0
    3.2532    6.3760   -2.4878 H   0  0  0  0  0
   -0.0236    5.3159   -0.2062 H   0  0  0  0  0
    0.0858    3.2065    1.0975 H   0  0  0  0  0
    1.5382    1.3539    0.3232 H   0  0  0  0  0
    4.0343    2.7260   -4.8386 H   0  0  0  0  0
    4.0249   -0.9143   -2.3386 H   0  0  0  0  0
    4.9937   -2.0513   -4.8769 H   0  0  0  0  0
    7.0716   -1.1158   -3.7895 H   0  0  0  0  0
    6.3788   -1.3513   -1.3951 H   0  0  0  0  0
    7.9013   -2.1776   -1.7006 H   0  0  0  0  0
    6.3750   -3.6152   -0.3483 H   0  0  0  0  0
    7.9593   -4.7154   -1.9326 H   0  0  0  0  0
    6.4688   -5.6452   -1.7978 H   0  0  0  0  0
    7.1440   -5.4090   -4.1894 H   0  0  0  0  0
    7.1643   -3.1485   -5.2442 H   0  0  0  0  0
    8.3645   -3.2388   -3.9582 H   0  0  0  0  0
    4.9845   -4.5005   -5.0495 H   0  0  0  0  0
    4.7088   -5.5118   -3.6340 H   0  0  0  0  0
    3.3994   -3.3954   -3.4581 H   0  0  0  0  0
    4.2657   -4.4680   -1.3818 H   0  0  0  0  0
    4.2101   -2.7248   -1.1851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 28  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 26  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
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 24 25  1  0  0  0
 24 48  1  0  0  0
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 25 27  1  0  0  0
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 25 50  1  0  0  0
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 27 28  1  0  0  0
 27 53  1  0  0  0
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 28 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2163930

>  <PubChem CID>
60195831

>  <Formula>
C24H28N2O3

>  <Molecular Weight>
392.499000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1COC2=CC=CC3=C2N1C=C(C3=O)C(=O)NC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
CCC1COC2=CC=CC3=C2N1C=C(C3=O)C(=O)NC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)

>  <InChI Key>
AUEMKSKNGASOAA-UHFFFAOYSA-N

