
 CHEMBL350384

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.1567    1.7990    0.6830 C   0  0  0  0  0
    1.0733    2.6033    0.2829 C   0  0  0  0  0
    2.4445    1.8597    0.0929 C   0  0  0  0  0
    2.9891    1.3480    1.4642 C   0  0  0  0  0
    3.8169    0.0559    1.3793 C   0  0  0  0  0
    4.6356   -0.1088    0.1708 N   0  0  0  0  0
    3.8957    0.2126   -1.1072 C   0  0  0  0  0
    2.3738    0.6327   -0.9099 C   0  0  0  0  0
    1.5486   -0.5970   -0.4134 C   0  0  0  0  0
    1.6921    1.0323   -2.2548 C   0  0  0  0  0
    4.5411    1.2668   -2.0293 C   0  0  0  0  0
    4.4202    2.6466   -1.4405 C   0  0  0  0  0
    3.4855    2.9314   -0.4181 C   0  0  0  0  0
    3.5793    4.2005    0.1937 C   0  0  0  0  0
    4.5104    5.1459   -0.2340 C   0  0  0  0  0
    5.3636    4.8818   -1.2927 C   0  0  0  0  0
    5.3143    3.6322   -1.8982 C   0  0  0  0  0
    4.5619    6.3334    0.4360 O   0  0  0  0  0
    5.9610    0.5099    0.4080 C   0  0  0  0  0
    7.0661   -0.0135   -0.4815 C   0  0  0  0  0
    7.9585    0.9276   -1.2545 C   0  0  0  0  0
    8.5022    0.2038   -0.0640 C   0  0  0  0  0
    6.8100   -1.2916   -1.0896 O   0  0  0  0  0
    0.0060    1.2230    1.5969 H   0  0  0  0  0
   -0.4892    1.1287   -0.1108 H   0  0  0  0  0
   -0.9890    2.4853    0.8779 H   0  0  0  0  0
    1.1800    3.3664    1.0630 H   0  0  0  0  0
    0.8284    3.1536   -0.6355 H   0  0  0  0  0
    3.5941    2.1167    1.9614 H   0  0  0  0  0
    2.1605    1.1483    2.1535 H   0  0  0  0  0
    4.4209   -0.0258    2.2935 H   0  0  0  0  0
    3.1674   -0.8204    1.4682 H   0  0  0  0  0
    3.9065   -0.7252   -1.6791 H   0  0  0  0  0
    2.0919   -1.5363   -0.5663 H   0  0  0  0  0
    0.6047   -0.7141   -0.9589 H   0  0  0  0  0
    1.2700   -0.5390    0.6407 H   0  0  0  0  0
    1.8528    0.2562   -3.0123 H   0  0  0  0  0
    2.0462    1.9833   -2.6613 H   0  0  0  0  0
    0.6089    1.1493   -2.1412 H   0  0  0  0  0
    4.0737    1.2604   -3.0209 H   0  0  0  0  0
    5.5812    1.0177   -2.2381 H   0  0  0  0  0
    2.9521    4.4665    1.0389 H   0  0  0  0  0
    6.0829    5.6152   -1.6405 H   0  0  0  0  0
    6.0081    3.4048   -2.7055 H   0  0  0  0  0
    5.2979    6.8560    0.0782 H   0  0  0  0  0
    6.2866    0.2342    1.4206 H   0  0  0  0  0
    5.9231    1.6025    0.4151 H   0  0  0  0  0
    7.7955    1.9946   -1.1606 H   0  0  0  0  0
    8.2882    0.6145   -2.2381 H   0  0  0  0  0
    9.2091   -0.5984   -0.2390 H   0  0  0  0  0
    8.7018    0.7837    0.8295 H   0  0  0  0  0
    5.9359   -1.6063   -0.7833 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
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 16 17  2  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
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 22 51  1  0  0  0
 23 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL350384

>  <PubChem CID>
1223

>  <Formula>
C20H29NO2

>  <Molecular Weight>
315.457000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4(CC4)O

>  <Isomeric SMILES>
CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4(CC4)O

>  <InChI Std. ID>
InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3

>  <InChI Key>
ZDXGFIXMPOUDFF-UHFFFAOYSA-N

