
 CHEMBL1643901

 43 48  0  0  0  0  0  0  0  0999 V2000
    2.4270   -1.8853    1.1357 C   0  0  0  0  0
    3.4048   -0.9255    1.6700 N   0  0  0  0  0
    2.6676    0.2824    2.1066 C   0  0  0  0  0
    3.4151    1.1815    3.0658 C   0  0  0  0  0
    3.9899    0.6694    4.2375 C   0  0  0  0  0
    4.6685    1.5167    5.1077 C   0  0  0  0  0
    4.7771    2.8774    4.8445 C   0  0  0  0  0
    4.1920    3.4033    3.6951 C   0  0  0  0  0
    3.5082    2.5615    2.8139 C   0  0  0  0  0
    5.2274    1.0153    6.2165 F   0  0  0  0  0
    4.4523   -0.6325    0.6649 C   0  0  0  0  0
    5.1587   -1.8615    0.0256 C   0  0  0  0  0
    6.0479   -2.7058    1.0167 C   0  0  0  0  0
    6.0825   -2.1564    2.4428 C   0  0  0  0  0
    6.5828   -0.7321    2.2043 C   0  0  0  0  0
    5.6945    0.1017    1.2184 C   0  0  0  0  0
    6.7620   -0.1007    0.1174 C   0  0  0  0  0
    6.2309   -1.1704   -0.8541 C   0  0  0  0  0
    7.3610   -2.1739   -0.9566 C   0  0  0  0  0
    7.4804   -2.3574    0.5416 C   0  0  0  0  0
    7.6316   -0.9188    1.0871 C   0  0  0  0  0
    2.8898   -2.8525    0.9217 H   0  0  0  0  0
    1.9463   -1.5134    0.2237 H   0  0  0  0  0
    1.6450   -2.0962    1.8734 H   0  0  0  0  0
    1.7607   -0.0157    2.6520 H   0  0  0  0  0
    2.3188    0.8500    1.2336 H   0  0  0  0  0
    3.9288   -0.3900    4.4673 H   0  0  0  0  0
    5.3147    3.5174    5.5371 H   0  0  0  0  0
    4.2687    4.4659    3.4820 H   0  0  0  0  0
    3.0596    2.9865    1.9182 H   0  0  0  0  0
    4.0083   -0.0327   -0.1436 H   0  0  0  0  0
    4.5088   -2.5026   -0.5771 H   0  0  0  0  0
    5.8223   -3.7738    0.9558 H   0  0  0  0  0
    6.7989   -2.7155    3.0576 H   0  0  0  0  0
    5.1203   -2.1990    2.9553 H   0  0  0  0  0
    6.9239   -0.1870    3.0882 H   0  0  0  0  0
    5.5747    1.1536    1.4840 H   0  0  0  0  0
    7.2263    0.7912   -0.3082 H   0  0  0  0  0
    5.8535   -0.7654   -1.7956 H   0  0  0  0  0
    7.0779   -3.0905   -1.4820 H   0  0  0  0  0
    8.2648   -1.7431   -1.3989 H   0  0  0  0  0
    8.2553   -3.0440    0.8893 H   0  0  0  0  0
    8.6398   -0.5410    1.2667 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 11 31  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
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 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1643901

>  <PubChem CID>
53321869

>  <Formula>
C19H22FN

>  <Molecular Weight>
283.390000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CC1=CC(=CC=C1)F)C2C3C4CC5C2C6C3CC4C56

>  <Isomeric SMILES>
CN(CC1=CC(=CC=C1)F)[C@H]2C3C4CC5C2C6C3CC4C56

>  <InChI Std. ID>
InChI=1S/C19H22FN/c1-21(8-9-3-2-4-10(20)5-9)19-16-12-7-13-15-11(12)6-14(16)17(15)18(13)19/h2-5,11-19H,6-8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1

>  <InChI Key>
GACBJAOXQGFNDL-RAOGCBAWSA-N

