
 CHEMBL201170

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.9975   -0.2560    0.8573 C   0  0  0  0  0
    2.4031    0.1033    1.1088 N   0  0  0  0  0
    2.5539    1.5646    0.7833 C   0  0  0  0  0
    4.0194    1.8895    0.6351 C   0  0  0  0  0
    4.7109    3.1196    0.2046 C   0  0  0  0  0
    4.1515    4.3994    0.3563 C   0  0  0  0  0
    4.9180    5.5131    0.0546 C   0  0  0  0  0
    6.2290    5.3723   -0.4035 C   0  0  0  0  0
    6.7896    4.0948   -0.5639 C   0  0  0  0  0
    6.0477    2.9491   -0.2610 C   0  0  0  0  0
    6.7456    1.5727   -0.2089 C   0  0  0  0  0
    6.2865    0.3697   -1.0600 C   0  0  0  0  0
    5.7079   -0.8281   -0.5373 C   0  0  0  0  0
    4.8236   -0.9276    0.7101 C   0  0  0  0  0
    3.2892   -0.8096    0.3206 C   0  0  0  0  0
    5.7506   -2.0020   -1.3125 C   0  0  0  0  0
    6.1959   -1.9739   -2.6208 C   0  0  0  0  0
    6.5581   -0.7718   -3.2090 C   0  0  0  0  0
    6.6250    0.3860   -2.4258 C   0  0  0  0  0
    6.2552   -3.1093   -3.3732 O   0  0  0  0  0
    0.3258    0.3896    1.4359 H   0  0  0  0  0
    0.8015   -1.2895    1.1741 H   0  0  0  0  0
    0.7348   -0.1572   -0.1960 H   0  0  0  0  0
    2.1185    2.1602    1.5970 H   0  0  0  0  0
    2.0329    1.8265   -0.1427 H   0  0  0  0  0
    4.2623    1.2597   -0.2131 H   0  0  0  0  0
    4.5184    1.6013    1.5657 H   0  0  0  0  0
    3.1476    4.5191    0.7457 H   0  0  0  0  0
    4.5078    6.5129    0.2063 H   0  0  0  0  0
    6.8311    6.2513   -0.6079 H   0  0  0  0  0
    7.8247    4.0145   -0.8815 H   0  0  0  0  0
    6.8010    1.2633    0.8428 H   0  0  0  0  0
    7.7967    1.7307   -0.4824 H   0  0  0  0  0
    5.1466   -0.2380    1.4859 H   0  0  0  0  0
    4.9787   -1.9130    1.1740 H   0  0  0  0  0
    3.1720   -0.5856   -0.7496 H   0  0  0  0  0
    2.8956   -1.8341    0.4361 H   0  0  0  0  0
    5.3821   -2.9416   -0.8940 H   0  0  0  0  0
    6.8406   -0.7386   -4.2588 H   0  0  0  0  0
    6.9888    1.3138   -2.8913 H   0  0  0  0  0
    6.1585   -3.8752   -2.7834 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 19  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL201170

>  <PubChem CID>
11558055

>  <Formula>
C18H21NO

>  <Molecular Weight>
267.372000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C=C(C=C3)O

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3

>  <InChI Key>
ODBZJKXOIQSFOA-UHFFFAOYSA-N

