
 CHEMBL149414

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.2579   -0.4799   -1.5367 C   0  0  0  0  0
    3.3293    1.0233   -1.7774 C   0  0  0  0  0
    3.3552    1.8620   -0.4708 C   0  0  0  0  0
    4.5178    1.5016    0.4818 C   0  0  0  0  0
    5.8419    1.7681   -0.2293 C   0  0  0  0  0
    6.8131    1.0220   -0.1191 O   0  0  0  0  0
    5.9246    3.0117   -1.0458 C   0  0  0  0  0
    4.7757    3.7996   -1.2781 C   0  0  0  0  0
    3.4067    3.4043   -0.6898 C   0  0  0  0  0
    3.2434    4.1092    0.6948 C   0  0  0  0  0
    3.4018    3.1703    1.9011 C   0  0  0  0  0
    4.5529    2.2907    1.7398 N   0  0  0  0  0
    4.7988    1.4157    2.8908 C   0  0  0  0  0
    5.1514    2.2050    4.1164 C   0  0  0  0  0
    4.1540    2.3977    5.2336 C   0  0  0  0  0
    5.3339    1.4902    5.4332 C   0  0  0  0  0
    2.2363    3.8450   -1.5998 C   0  0  0  0  0
    4.9373    4.9750   -2.0349 C   0  0  0  0  0
    6.1808    5.3241   -2.5598 C   0  0  0  0  0
    7.2998    4.5312   -2.3440 C   0  0  0  0  0
    7.1706    3.3722   -1.5819 C   0  0  0  0  0
    6.2570    6.4735   -3.2904 O   0  0  0  0  0
    3.0897   -1.0027   -2.4840 H   0  0  0  0  0
    2.4343   -0.7324   -0.8612 H   0  0  0  0  0
    4.1895   -0.8651   -1.1124 H   0  0  0  0  0
    2.4427    1.2959   -2.3607 H   0  0  0  0  0
    4.1942    1.2372   -2.4134 H   0  0  0  0  0
    2.4103    1.6192    0.0382 H   0  0  0  0  0
    4.4616    0.4284    0.6993 H   0  0  0  0  0
    3.9565    4.9390    0.7945 H   0  0  0  0  0
    2.2483    4.5664    0.7762 H   0  0  0  0  0
    3.5148    3.8046    2.7876 H   0  0  0  0  0
    2.4818    2.5909    2.0513 H   0  0  0  0  0
    5.6583    0.7676    2.6781 H   0  0  0  0  0
    3.9372    0.7611    3.0737 H   0  0  0  0  0
    5.8548    3.0033    3.9024 H   0  0  0  0  0
    3.1752    1.9410    5.1435 H   0  0  0  0  0
    4.1526    3.3503    5.7501 H   0  0  0  0  0
    6.1329    1.8281    6.0832 H   0  0  0  0  0
    5.1555    0.4212    5.4722 H   0  0  0  0  0
    2.1012    4.9328   -1.5935 H   0  0  0  0  0
    1.2904    3.4089   -1.2578 H   0  0  0  0  0
    2.3903    3.5450   -2.6423 H   0  0  0  0  0
    4.1028    5.6441   -2.2260 H   0  0  0  0  0
    8.2709    4.7971   -2.7485 H   0  0  0  0  0
    8.0453    2.7509   -1.3978 H   0  0  0  0  0
    7.1759    6.5971   -3.5809 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 28  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 21  1  0  0  0
  7  8  2  0  0  0
  8 18  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL149414

>  <PubChem CID>
44366629

>  <Formula>
C19H25NO2

>  <Molecular Weight>
299.414000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1C2C(=O)C3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O

>  <Isomeric SMILES>
CCC1C2C(=O)C3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3

>  <InChI Key>
DPCMDSRBULNETE-UHFFFAOYSA-N

