
 CHEMBL1086790

 39 43  0  0  0  0  0  0  0  0999 V2000
   -1.5354    2.5340    0.3937 C   0  0  0  0  0
   -2.5085    1.8835    1.4096 C   0  0  0  0  0
   -2.8514    0.4501    1.2810 N   0  0  0  0  0
   -3.9431    0.0511    2.1728 C   0  0  0  0  0
   -5.3701    0.3796    1.6760 C   0  0  0  0  0
   -5.4993    0.7951    0.2189 C   0  0  0  0  0
   -6.7269    1.2989   -0.2286 C   0  0  0  0  0
   -6.8409    1.8019   -1.5156 C   0  0  0  0  0
   -5.7216    1.8054   -2.3554 C   0  0  0  0  0
   -4.5009    1.2505   -1.9321 C   0  0  0  0  0
   -4.3784    0.7111   -0.6563 C   0  0  0  0  0
   -3.1971   -0.0257   -0.0705 C   0  0  0  0  0
   -1.9444   -0.2635   -0.8675 C   0  0  0  0  0
   -1.6269   -1.4245   -1.5594 C   0  0  0  0  0
   -0.2586   -1.5241   -1.6333 N   0  0  0  0  0
    0.3318   -0.4289   -1.0490 C   0  0  0  0  0
    1.6736   -0.1577   -0.7592 C   0  0  0  0  0
    1.9594    1.0517   -0.1164 C   0  0  0  0  0
    0.9442    1.9483    0.2252 C   0  0  0  0  0
   -0.4035    1.6374   -0.0205 C   0  0  0  0  0
   -0.7002    0.4257   -0.6754 C   0  0  0  0  0
   -1.1449    3.4681    0.8166 H   0  0  0  0  0
   -2.0841    2.8223   -0.5127 H   0  0  0  0  0
   -2.0433    1.9978    2.3974 H   0  0  0  0  0
   -3.4123    2.5061    1.4300 H   0  0  0  0  0
   -3.7896    0.4451    3.1842 H   0  0  0  0  0
   -3.8736   -1.0393    2.2958 H   0  0  0  0  0
   -5.7539    1.2034    2.2896 H   0  0  0  0  0
   -6.0118   -0.4947    1.8439 H   0  0  0  0  0
   -7.5902    1.3118    0.4347 H   0  0  0  0  0
   -7.7886    2.2070   -1.8613 H   0  0  0  0  0
   -5.8094    2.2372   -3.3488 H   0  0  0  0  0
   -3.6585    1.2622   -2.6209 H   0  0  0  0  0
   -3.5779   -1.0566    0.0388 H   0  0  0  0  0
   -2.2435   -2.2675   -1.8405 H   0  0  0  0  0
    0.2452   -2.3435   -1.9416 H   0  0  0  0  0
    2.4618   -0.8686   -0.9844 H   0  0  0  0  0
    2.9904    1.2892    0.1377 H   0  0  0  0  0
    1.2070    2.8787    0.7226 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3 12  1  0  0  0
  3  4  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 28  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 21  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
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 17 18  1  0  0  0
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 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL1086790

>  <PubChem CID>
45379377

>  <Formula>
C19H18N2

>  <Molecular Weight>
274.367000

>  <IUPAC Name>


>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN2CCC3=CC=CC=C3C2C4=CNC5=CC=CC1=C54

>  <Isomeric SMILES>
C1CN2CCC3=CC=CC=C3C2C4=CNC5=CC=CC1=C54

>  <InChI Std. ID>
InChI=1S/C19H18N2/c1-2-6-15-13(4-1)8-10-21-11-9-14-5-3-7-17-18(14)16(12-20-17)19(15)21/h1-7,12,19-20H,8-11H2

>  <InChI Key>
BOVIKQWJNPOZRM-UHFFFAOYSA-N

