
 CHEMBL408432

 71 75  0  0  0  0  0  0  0  0999 V2000
    1.7657    0.7629    1.2725 C   0  0  0  0  0
    2.4636    0.3350   -0.0092 C   0  0  0  0  0
    3.3498    1.4368   -0.5703 C   0  0  0  0  0
    4.7571    1.5785   -0.3290 C   0  0  0  0  0
    5.3775    2.7785   -0.8123 C   0  0  0  0  0
    4.6270    3.7332   -1.5366 C   0  0  0  0  0
    3.2784    3.5539   -1.7885 C   0  0  0  0  0
    2.6477    2.4210   -1.3055 C   0  0  0  0  0
    6.8460    3.1311   -0.6330 C   0  0  0  0  0
    7.7204    2.5301   -1.7199 C   0  0  0  0  0
    5.5397    0.5420    0.4134 C   0  0  0  0  0
    6.4448    0.9855    1.3070 N   0  0  0  0  0
    7.1508    0.0973    2.0536 C   0  0  0  0  0
    6.8789   -1.2682    2.0692 C   0  0  0  0  0
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    9.1043   -1.8089    2.8838 C   0  0  0  0  0
    9.4164   -0.3483    3.2119 C   0  0  0  0  0
    8.3391    0.6634    2.7870 C   0  0  0  0  0
    7.2413   -2.0202    4.4998 N   0  0  0  0  0
    7.3772   -3.2028    5.3632 C   0  0  0  0  0
    8.6180   -3.1009    6.2420 C   0  0  0  0  0
    6.3674   -1.0483    5.0026 C   0  0  0  0  0
    6.9257   -0.0367    5.8053 C   0  0  0  0  0
    6.1584    1.0017    6.3217 C   0  0  0  0  0
    4.7938    1.0379    6.0642 C   0  0  0  0  0
    4.1818    0.0214    5.3213 C   0  0  0  0  0
    2.7931    0.0558    5.1135 C   0  0  0  0  0
    2.1487   -0.9609    4.4141 C   0  0  0  0  0
    2.8856   -2.0256    3.9125 C   0  0  0  0  0
    4.2684   -2.0681    4.1074 C   0  0  0  0  0
    4.9577   -1.0471    4.7956 C   0  0  0  0  0
    6.0344   -1.7373    1.0565 C   0  0  0  0  0
    5.4054   -0.8238    0.1979 C   0  0  0  0  0
    5.7238   -3.4819    0.7618 S   0  0  0  0  0
    6.7131   -3.7018   -0.7418 C   0  0  0  0  0
    1.1337   -0.0521    1.6406 H   0  0  0  0  0
    1.1239    1.6349    1.1106 H   0  0  0  0  0
    2.4935    1.0159    2.0493 H   0  0  0  0  0
    1.7076    0.0723   -0.7611 H   0  0  0  0  0
    2.9851   -0.5985    0.1798 H   0  0  0  0  0
    5.1071    4.6375   -1.9063 H   0  0  0  0  0
    2.7179    4.3040   -2.3384 H   0  0  0  0  0
    1.5788    2.3110   -1.4806 H   0  0  0  0  0
    7.2217    2.8732    0.3565 H   0  0  0  0  0
    6.9585    4.2230   -0.6631 H   0  0  0  0  0
    8.7676    2.8056   -1.5546 H   0  0  0  0  0
    7.4291    2.9037   -2.7085 H   0  0  0  0  0
    7.6532    1.4378   -1.7379 H   0  0  0  0  0
    7.4987   -3.1958    2.7809 H   0  0  0  0  0
    9.7344   -2.4650    3.4950 H   0  0  0  0  0
    9.3956   -2.0041    1.8420 H   0  0  0  0  0
   10.3735   -0.0797    2.7478 H   0  0  0  0  0
    9.5889   -0.2496    4.2898 H   0  0  0  0  0
    8.8191    1.4017    2.1297 H   0  0  0  0  0
    7.9888    1.2308    3.6535 H   0  0  0  0  0
    7.4476   -4.1142    4.7578 H   0  0  0  0  0
    6.4970   -3.3348    6.0044 H   0  0  0  0  0
    9.5297   -3.0233    5.6441 H   0  0  0  0  0
    8.7068   -3.9897    6.8729 H   0  0  0  0  0
    8.5759   -2.2280    6.8996 H   0  0  0  0  0
    7.9934   -0.0434    6.0095 H   0  0  0  0  0
    6.6247    1.7806    6.9124 H   0  0  0  0  0
    4.2076    1.8622    6.4645 H   0  0  0  0  0
    2.1994    0.8819    5.5003 H   0  0  0  0  0
    1.0742   -0.9183    4.2605 H   0  0  0  0  0
    2.3917   -2.8254    3.3666 H   0  0  0  0  0
    4.8158   -2.9216    3.7185 H   0  0  0  0  0
    4.7875   -1.1840   -0.6163 H   0  0  0  0  0
    6.6664   -4.7494   -1.0504 H   0  0  0  0  0
    7.7579   -3.4413   -0.5519 H   0  0  0  0  0
    6.3266   -3.0842   -1.5567 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  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 41  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 46  1  0  0  0
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 10 48  1  0  0  0
 11 12  2  0  0  0
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 14 15  1  0  0  0
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 15 19  1  0  0  0
 15 49  1  0  0  0
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 19 22  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
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 22 23  2  0  0  0
 22 31  1  0  0  0
 23 24  1  0  0  0
 23 61  1  0  0  0
 24 25  2  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
 25 63  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 64  1  0  0  0
 28 29  2  0  0  0
 28 65  1  0  0  0
 29 30  1  0  0  0
 29 66  1  0  0  0
 30 31  2  0  0  0
 30 67  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
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 34 35  1  0  0  0
 35 69  1  0  0  0
 35 70  1  0  0  0
 35 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL408432

>  <PubChem CID>
25191896

>  <Formula>
C32H36N2S

>  <Molecular Weight>
480.714000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-N-ethyl-4-methylsulfanyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
8.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(CC)C4=CC=CC5=CC=CC=C54)C(=C2)SC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(CC)C4=CC=CC5=CC=CC=C54)C(=C2)SC

>  <InChI Std. ID>
InChI=1S/C32H36N2S/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3

>  <InChI Key>
CMLVDJNLTCLQQU-UHFFFAOYSA-N

