
 CHEMBL611415

 61 65  0  0  0  0  0  0  0  0999 V2000
    6.4152    1.0458   -3.6849 C   0  0  0  0  0
    5.6543    0.9323   -2.3638 C   0  0  0  0  0
    4.2641    0.3537   -2.6242 C   0  0  0  0  0
    6.2993    0.0307   -1.4528 O   0  0  0  0  0
    7.5293    0.3560   -0.9457 C   0  0  0  0  0
    7.9137    1.6859   -0.7264 C   0  0  0  0  0
    9.1468    1.9891   -0.1558 C   0  0  0  0  0
    9.9915    0.9612    0.2288 C   0  0  0  0  0
    9.6161   -0.3805    0.0513 C   0  0  0  0  0
    8.3862   -0.7114   -0.5707 C   0  0  0  0  0
    7.9884   -2.2193   -0.7249 C   0  0  0  0  0
    7.0979   -2.5468    0.5054 C   0  0  0  0  0
    7.8711   -2.4531    1.8300 C   0  0  0  0  0
    9.1651   -3.1585    1.8235 N   0  0  0  0  0
   10.0055   -2.8526    0.6307 C   0  0  0  0  0
   10.5823   -1.4277    0.5428 C   0  0  0  0  0
    9.2444   -3.1642   -0.6944 C   0  0  0  0  0
    8.8134   -4.6554   -0.7307 C   0  0  0  0  0
    7.8228   -5.0042   -1.8306 C   0  0  0  0  0
    7.3747   -3.8422   -2.6736 C   0  0  0  0  0
    6.9976   -4.0388   -3.8336 O   0  0  0  0  0
    7.2203   -2.4745   -2.0480 C   0  0  0  0  0
   10.0149   -2.8516   -1.8791 O   0  0  0  0  0
   11.1800   -3.6168   -2.1426 C   0  0  0  0  0
    9.8280   -2.9681    3.1232 C   0  0  0  0  0
   11.1188   -3.7232    3.2412 C   0  0  0  0  0
   12.4456   -3.0000    3.2265 C   0  0  0  0  0
   11.9389   -3.6034    4.5036 C   0  0  0  0  0
    5.8631    1.6562   -4.4064 H   0  0  0  0  0
    6.5891    0.0580   -4.1246 H   0  0  0  0  0
    7.3986    1.5040   -3.5421 H   0  0  0  0  0
    5.5105    1.9168   -1.9067 H   0  0  0  0  0
    3.6825    0.9997   -3.2892 H   0  0  0  0  0
    3.7164    0.2382   -1.6827 H   0  0  0  0  0
    4.3313   -0.6433   -3.0740 H   0  0  0  0  0
    7.2628    2.5156   -0.9742 H   0  0  0  0  0
    9.4341    3.0233    0.0020 H   0  0  0  0  0
   10.9466    1.2070    0.6885 H   0  0  0  0  0
    6.2381   -1.8662    0.5573 H   0  0  0  0  0
    6.6632   -3.5493    0.4137 H   0  0  0  0  0
    8.0044   -1.3988    2.1028 H   0  0  0  0  0
    7.2331   -2.8866    2.6116 H   0  0  0  0  0
   10.8654   -3.5309    0.6741 H   0  0  0  0  0
   11.4379   -1.4323   -0.1454 H   0  0  0  0  0
   10.9837   -1.1173    1.5124 H   0  0  0  0  0
    8.3687   -4.9712    0.2203 H   0  0  0  0  0
    9.6898   -5.3070   -0.8303 H   0  0  0  0  0
    6.9259   -5.4584   -1.3938 H   0  0  0  0  0
    8.2726   -5.7493   -2.4972 H   0  0  0  0  0
    7.5695   -1.7773   -2.8200 H   0  0  0  0  0
    6.1432   -2.3279   -1.9071 H   0  0  0  0  0
   11.7297   -3.1200   -2.9473 H   0  0  0  0  0
   10.9160   -4.6164   -2.4964 H   0  0  0  0  0
   11.8379   -3.6794   -1.2734 H   0  0  0  0  0
    9.1640   -3.3573    3.9064 H   0  0  0  0  0
    9.9775   -1.9043    3.3451 H   0  0  0  0  0
   11.0579   -4.7174    2.8103 H   0  0  0  0  0
   12.4605   -1.9172    3.1661 H   0  0  0  0  0
   13.2803   -3.4789    2.7306 H   0  0  0  0  0
   12.4368   -4.4930    4.8733 H   0  0  0  0  0
   11.5961   -2.9331    5.2842 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  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
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 13 14  1  0  0  0
 13 41  1  0  0  0
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 14 25  1  0  0  0
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 15 43  1  0  0  0
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 17 23  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
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 22 51  1  0  0  0
 23 24  1  0  0  0
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 24 54  1  0  0  0
 25 26  1  0  0  0
 25 55  1  0  0  0
 25 56  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL611415

>  <PubChem CID>
14425740

>  <Formula>
C24H33NO3

>  <Molecular Weight>
383.532000

>  <IUPAC Name>


>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)OC1=CC=CC2=C1C34CCN(C(C2)C3(CCC(=O)C4)OC)CC5CC5

>  <Isomeric SMILES>
CC(C)OC1=CC=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5

>  <InChI Std. ID>
InChI=1S/C24H33NO3/c1-16(2)28-20-6-4-5-18-13-21-24(27-3)10-9-19(26)14-23(24,22(18)20)11-12-25(21)15-17-7-8-17/h4-6,16-17,21H,7-15H2,1-3H3/t21-,23-,24-/m1/s1

>  <InChI Key>
DHRQENMXQQPMRD-GMKZXUHWSA-N

