
 CHEMBL1643900

 43 48  0  0  0  0  0  0  0  0999 V2000
    5.4585    0.8840    0.8643 C   0  0  0  0  0
    5.8314   -0.5730    1.0477 C   0  0  0  0  0
    4.4882   -1.3363    0.9801 C   0  0  0  0  0
    4.7838   -2.5455    1.8695 C   0  0  0  0  0
    5.3457   -1.8668    3.1203 C   0  0  0  0  0
    6.1661   -0.6886    2.5516 C   0  0  0  0  0
    5.1917    0.3159    3.1948 C   0  0  0  0  0
    4.4275    0.8767    1.9757 C   0  0  0  0  0
    3.4904   -0.3112    1.6393 C   0  0  0  0  0
    3.0044   -0.7672    3.0331 C   0  0  0  0  0
    4.3542   -0.8499    3.7751 C   0  0  0  0  0
    2.1254    0.1964    3.7117 N   0  0  0  0  0
    0.8049    0.2732    3.0758 C   0  0  0  0  0
   -0.1221    1.2149    3.8568 C   0  0  0  0  0
   -1.4686    1.3419    3.1843 C   0  0  0  0  0
   -1.6856    2.3327    2.2177 C   0  0  0  0  0
   -2.9182    2.4212    1.5781 C   0  0  0  0  0
   -3.9465    1.5361    1.8783 C   0  0  0  0  0
   -3.7402    0.5443    2.8351 C   0  0  0  0  0
   -2.5062    0.4461    3.4843 C   0  0  0  0  0
   -3.1146    3.3710    0.6545 F   0  0  0  0  0
    5.0299    1.0989   -0.1190 H   0  0  0  0  0
    6.2942    1.5596    1.0726 H   0  0  0  0  0
    6.6110   -0.9642    0.3905 H   0  0  0  0  0
    4.1889   -1.5952   -0.0391 H   0  0  0  0  0
    5.5396   -3.1934    1.4094 H   0  0  0  0  0
    3.9017   -3.1572    2.0781 H   0  0  0  0  0
    5.8708   -2.5159    3.8257 H   0  0  0  0  0
    7.2124   -0.6051    2.8515 H   0  0  0  0  0
    5.6291    1.0272    3.8979 H   0  0  0  0  0
    3.9192    1.8239    2.1678 H   0  0  0  0  0
    2.6986   -0.0424    0.9351 H   0  0  0  0  0
    2.5115   -1.7450    3.0087 H   0  0  0  0  0
    4.3157   -0.9114    4.8669 H   0  0  0  0  0
    2.0085   -0.0941    4.6827 H   0  0  0  0  0
    0.3521   -0.7251    3.0274 H   0  0  0  0  0
    0.9005    0.6437    2.0493 H   0  0  0  0  0
    0.3332    2.2098    3.9471 H   0  0  0  0  0
   -0.2613    0.8506    4.8829 H   0  0  0  0  0
   -0.9029    3.0375    1.9518 H   0  0  0  0  0
   -4.8980    1.6240    1.3641 H   0  0  0  0  0
   -4.5379   -0.1543    3.0745 H   0  0  0  0  0
   -2.3580   -0.3370    4.2255 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3  9  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  1  0  0  0
  5 11  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1643900

>  <PubChem CID>
53324553

>  <Formula>
C19H22FN

>  <Molecular Weight>
283.390000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2C3CC4C2C5C1C3C(C45)NCCC6=CC(=CC=C6)F

>  <Isomeric SMILES>
C1C2C3CC4C2[C@@H](C5C1C3C45)NCCC6=CC(=CC=C6)F

>  <InChI Std. ID>
InChI=1S/C19H22FN/c20-10-3-1-2-9(6-10)4-5-21-19-16-12-8-13-15-11(12)7-14(16)17(15)18(13)19/h1-3,6,11-19,21H,4-5,7-8H2/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1

>  <InChI Key>
FZIIBLBHXXRTMG-RAOGCBAWSA-N

