
 CHEMBL2432060

 49 54  0  0  0  0  0  0  0  0999 V2000
    1.8042    1.5713    0.1091 C   0  0  0  0  0
    2.3897    0.4998   -0.7075 N   0  0  0  0  0
    1.4624    0.0955   -1.7904 C   0  0  0  0  0
    1.0965    1.2175   -2.7772 C   0  0  0  0  0
    0.2079    0.7157   -3.9256 C   0  0  0  0  0
   -1.1105    0.1403   -3.4618 C   0  0  0  0  0
   -2.0350    0.9324   -2.7686 C   0  0  0  0  0
   -3.2211    0.3732   -2.3022 C   0  0  0  0  0
   -3.5163   -0.9667   -2.5228 C   0  0  0  0  0
   -2.6136   -1.7597   -3.2258 C   0  0  0  0  0
   -1.4164   -1.2098   -3.6945 C   0  0  0  0  0
   -4.0867    1.1363   -1.6229 F   0  0  0  0  0
    2.7235   -0.6686    0.1389 C   0  0  0  0  0
    3.6618   -0.4210    1.3475 C   0  0  0  0  0
    5.1380   -0.0200    0.9724 C   0  0  0  0  0
    5.4020    0.0435   -0.5325 C   0  0  0  0  0
    5.0058   -1.3664   -0.9677 C   0  0  0  0  0
    3.5358   -1.7602   -0.5959 C   0  0  0  0  0
    4.0820   -2.6338    0.5579 C   0  0  0  0  0
    3.8467   -1.8662    1.8751 C   0  0  0  0  0
    5.2003   -1.8641    2.5537 C   0  0  0  0  0
    5.9245   -1.3002    1.3492 C   0  0  0  0  0
    5.5243   -2.2450    0.1915 C   0  0  0  0  0
    2.4865    1.8899    0.9010 H   0  0  0  0  0
    0.8567    1.2665    0.5668 H   0  0  0  0  0
    1.6318    2.4752   -0.4818 H   0  0  0  0  0
    0.5521   -0.3288   -1.3503 H   0  0  0  0  0
    1.9318   -0.6965   -2.3851 H   0  0  0  0  0
    2.0142    1.6399   -3.2047 H   0  0  0  0  0
    0.5787    2.0337   -2.2648 H   0  0  0  0  0
    0.7607   -0.0298   -4.5114 H   0  0  0  0  0
   -0.0021    1.5459   -4.6118 H   0  0  0  0  0
   -1.8407    1.9831   -2.5727 H   0  0  0  0  0
   -4.4455   -1.3809   -2.1458 H   0  0  0  0  0
   -2.8362   -2.8085   -3.4060 H   0  0  0  0  0
   -0.7186   -1.8473   -4.2338 H   0  0  0  0  0
    1.7872   -1.1100    0.5125 H   0  0  0  0  0
    3.2522    0.2324    2.1229 H   0  0  0  0  0
    5.4702    0.8657    1.5208 H   0  0  0  0  0
    6.4661    0.2207   -0.7322 H   0  0  0  0  0
    4.8438    0.8279   -1.0464 H   0  0  0  0  0
    5.3209   -1.6677   -1.9698 H   0  0  0  0  0
    3.0083   -2.3330   -1.3639 H   0  0  0  0  0
    3.8510   -3.7008    0.5401 H   0  0  0  0  0
    3.0081   -2.2455    2.4637 H   0  0  0  0  0
    5.2422   -1.2084    3.4280 H   0  0  0  0  0
    5.5398   -2.8715    2.8143 H   0  0  0  0  0
    7.0028   -1.1595    1.4503 H   0  0  0  0  0
    6.1976   -3.0684   -0.0535 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 13  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  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  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 13 37  1  0  0  0
 14 20  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2432060

>  <PubChem CID>
73349362

>  <Formula>
C21H26FN

>  <Molecular Weight>
311.444000

>  <IUPAC Name>


>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CCCC1=CC(=CC=C1)F)C2C3C4CC5C2C6C3CC4C56

>  <Isomeric SMILES>
CN(CCCC1=CC(=CC=C1)F)[C@H]2C3C4CC5C2C6C3CC4C56

>  <InChI Std. ID>
InChI=1S/C21H26FN/c1-23(7-3-5-11-4-2-6-12(22)8-11)21-18-14-10-15-17-13(14)9-16(18)19(17)20(15)21/h2,4,6,8,13-21H,3,5,7,9-10H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20?,21-/m0/s1

>  <InChI Key>
CKFQOWSPJPMWEK-IINHSQADSA-N

