
 CHEMBL590615

 42 48  0  0  0  0  0  0  0  0999 V2000
   -2.7120    0.4852   -1.9494 C   0  0  0  0  0
   -1.5574    1.4324   -1.6401 C   0  0  0  0  0
   -1.5832    1.5233   -0.1042 C   0  0  0  0  0
   -2.0398    0.1044    0.3244 C   0  0  0  0  0
   -2.2187   -0.6199   -1.0198 C   0  0  0  0  0
   -0.7657   -0.8504   -1.4636 C   0  0  0  0  0
   -0.3138    0.5705   -1.8969 C   0  0  0  0  0
    0.7085    0.9114   -0.8153 C   0  0  0  0  0
   -0.1656    1.2176    0.4030 C   0  0  0  0  0
   -0.6224   -0.1919    0.8396 C   0  0  0  0  0
    0.0893   -1.0635   -0.2017 C   0  0  0  0  0
    1.2968   -0.3626   -0.5135 O   0  0  0  0  0
    0.2616   -2.4522    0.1502 N   0  0  0  0  0
    1.1746   -2.6425    1.2836 C   0  0  0  0  0
    1.3455   -4.1402    1.5768 C   0  0  0  0  0
    2.2279   -4.3777    2.7785 C   0  0  0  0  0
    1.6707   -4.4596    4.0615 C   0  0  0  0  0
    2.4950   -4.6570    5.1648 C   0  0  0  0  0
    3.8721   -4.7714    5.0199 C   0  0  0  0  0
    4.4372   -4.6855    3.7488 C   0  0  0  0  0
    3.6190   -4.4869    2.6331 C   0  0  0  0  0
    1.9521   -4.7344    6.3874 F   0  0  0  0  0
   -3.6801    0.8907   -1.6386 H   0  0  0  0  0
   -2.7466    0.1787   -2.9991 H   0  0  0  0  0
   -1.5598    2.4001   -2.1440 H   0  0  0  0  0
   -2.1194    2.3542    0.3579 H   0  0  0  0  0
   -2.8590    0.0665    1.0449 H   0  0  0  0  0
   -2.8276   -1.5234   -0.9599 H   0  0  0  0  0
   -0.6289   -1.5746   -2.2719 H   0  0  0  0  0
    0.0668    0.5797   -2.9214 H   0  0  0  0  0
    1.4339    1.6856   -1.0729 H   0  0  0  0  0
    0.2432    1.8511    1.1919 H   0  0  0  0  0
   -0.5188   -0.3882    1.9078 H   0  0  0  0  0
    0.6695   -2.9147   -0.6615 H   0  0  0  0  0
    0.7807   -2.1516    2.1802 H   0  0  0  0  0
    2.1558   -2.2017    1.0683 H   0  0  0  0  0
    1.7736   -4.6527    0.7054 H   0  0  0  0  0
    0.3670   -4.6070    1.7508 H   0  0  0  0  0
    0.5993   -4.3700    4.2143 H   0  0  0  0  0
    4.4940   -4.9241    5.8960 H   0  0  0  0  0
    5.5137   -4.7705    3.6253 H   0  0  0  0  0
    4.0746   -4.4164    1.6471 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 12  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 33  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  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 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL590615

>  <PubChem CID>
46225029

>  <Formula>
C19H20FNO

>  <Molecular Weight>
297.373000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2C3C4C1C5C2C6C3C4C5(O6)NCCC7=CC(=CC=C7)F

>  <Isomeric SMILES>
C1C2C3C4C1C5C2C6C3C4C5(O6)NCCC7=CC(=CC=C7)F

>  <InChI Std. ID>
InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2

>  <InChI Key>
CWYDYWFZPBTTIM-UHFFFAOYSA-N

