
 CHEMBL410927

 62 65  0  0  0  0  0  0  0  0999 V2000
    0.9341    0.3652    0.9140 C   0  0  0  0  0
    2.4108    0.2162    0.5509 C   0  0  0  0  0
    3.1411    1.4671    0.0696 C   0  0  0  0  0
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    6.3075    0.9683    1.7658 N   0  0  0  0  0
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    6.8299   -1.3222    2.2932 C   0  0  0  0  0
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    8.9170   -1.8197    3.5601 C   0  0  0  0  0
    8.9604   -0.3968    4.1033 C   0  0  0  0  0
    8.2007    0.5987    3.2264 C   0  0  0  0  0
    6.7137   -2.4195    4.5464 N   0  0  0  0  0
    5.7989   -1.3609    4.9834 C   0  0  0  0  0
    6.3185   -3.7236    4.8864 C   0  0  0  0  0
    4.9705   -4.1065    4.9842 C   0  0  0  0  0
    4.6024   -5.3859    5.4079 C   0  0  0  0  0
    5.5806   -6.3156    5.7439 C   0  0  0  0  0
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    5.9758   -1.7388    1.2661 C   0  0  0  0  0
    5.3040   -0.7801    0.5030 C   0  0  0  0  0
    5.8626   -3.0917    1.0839 O   0  0  0  0  0
    5.1780   -3.5489   -0.0755 C   0  0  0  0  0
    0.5632   -0.5686    1.3505 H   0  0  0  0  0
    0.3168    0.5723    0.0340 H   0  0  0  0  0
    0.7824    1.1664    1.6443 H   0  0  0  0  0
    2.4877   -0.5476   -0.2317 H   0  0  0  0  0
    2.8986   -0.1620    1.4552 H   0  0  0  0  0
    4.7370    4.8248   -1.0931 H   0  0  0  0  0
    2.3466    4.4277   -1.4570 H   0  0  0  0  0
    1.3161    2.3448   -0.7428 H   0  0  0  0  0
    7.0217    2.9343    0.9027 H   0  0  0  0  0
    6.6723    4.3661    0.0262 H   0  0  0  0  0
    8.4662    3.0749   -1.0764 H   0  0  0  0  0
    7.0714    3.2525   -2.1506 H   0  0  0  0  0
    7.3671    1.7077   -1.3348 H   0  0  0  0  0
    7.5750   -3.2658    2.7848 H   0  0  0  0  0
    9.4049   -2.4938    4.2728 H   0  0  0  0  0
    9.5059   -1.8631    2.6335 H   0  0  0  0  0
   10.0024   -0.0698    4.2063 H   0  0  0  0  0
    8.5490   -0.3834    5.1188 H   0  0  0  0  0
    8.9089    1.0250    2.5038 H   0  0  0  0  0
    7.8467    1.4304    3.8468 H   0  0  0  0  0
    6.3006   -0.3922    5.0333 H   0  0  0  0  0
    5.4408   -1.5481    6.0035 H   0  0  0  0  0
    4.9311   -1.2664    4.3218 H   0  0  0  0  0
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    4.6547   -1.0676   -0.3125 H   0  0  0  0  0
    5.2723   -4.6387   -0.1119 H   0  0  0  0  0
    5.6300   -3.1469   -0.9887 H   0  0  0  0  0
    4.1115   -3.3079   -0.0220 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 41  1  0  0  0
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 30 60  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL410927

>  <PubChem CID>
25191388

>  <Formula>
C27H32N2O

>  <Molecular Weight>
400.566000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=CC=CC=C4)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=CC=CC=C4)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3

>  <InChI Key>
BGVMOAYPPKYPSF-UHFFFAOYSA-N

