
 CHEMBL1642761

 56 59  0  0  0  0  0  0  0  0999 V2000
    4.3398    0.0774    3.5038 C   0  0  0  0  0
    4.1523   -0.3423    2.0528 C   0  0  0  0  0
    4.0905   -1.8668    1.9212 C   0  0  0  0  0
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    2.0048   -4.2611    1.5376 C   0  0  0  0  0
    1.6875   -5.6896    1.4471 N   0  0  0  0  0
    0.9771   -5.9983    0.2039 C   0  0  0  0  0
    0.6605   -7.4705    0.0552 C   0  0  0  0  0
    1.4792   -8.4696    0.5945 C   0  0  0  0  0
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    0.0942  -10.2326   -0.3864 C   0  0  0  0  0
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   -0.4366   -7.8658   -0.7187 C   0  0  0  0  0
   -0.1759  -11.6053   -0.6005 N   0  0  0  0  0
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   -1.8007  -13.3087    0.1174 C   0  0  0  0  0
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    1.2609  -14.9999   -1.3254 C   0  0  0  0  0
    2.5655  -14.6800   -1.6852 C   0  0  0  0  0
    2.9624  -13.3504   -1.7042 C   0  0  0  0  0
    2.0547  -12.3437   -1.3576 C   0  0  0  0  0
    0.7361  -12.6322   -0.9637 C   0  0  0  0  0
    4.3920    1.1695    3.5787 H   0  0  0  0  0
    5.2973   -0.3127    3.8745 H   0  0  0  0  0
    4.9707    0.0469    1.4376 H   0  0  0  0  0
    3.2248    0.0968    1.6641 H   0  0  0  0  0
    5.1039   -2.2811    1.9959 H   0  0  0  0  0
    3.7232   -2.0986    0.9158 H   0  0  0  0  0
    2.2031   -2.3647    4.8121 H   0  0  0  0  0
    2.3123    0.1845    4.2471 H   0  0  0  0  0
    3.4960   -0.3694    5.4301 H   0  0  0  0  0
    2.3898   -4.3905    3.6578 H   0  0  0  0  0
    3.8303   -4.5557    2.6706 H   0  0  0  0  0
    2.5350   -3.9516    0.6301 H   0  0  0  0  0
    1.0816   -3.6731    1.6061 H   0  0  0  0  0
    1.0996   -5.9611    2.2352 H   0  0  0  0  0
    1.5843   -5.7032   -0.6606 H   0  0  0  0  0
    0.0409   -5.4265    0.1753 H   0  0  0  0  0
    2.3573   -8.2040    1.1794 H   0  0  0  0  0
    1.8278  -10.5693    0.8589 H   0  0  0  0  0
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   -1.9700  -12.0364   -1.6316 H   0  0  0  0  0
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   -1.4279  -13.2349    1.1468 H   0  0  0  0  0
   -1.5836  -14.6347   -1.5629 H   0  0  0  0  0
   -1.0568  -15.3125   -0.0131 H   0  0  0  0  0
    0.9499  -16.0426   -1.3305 H   0  0  0  0  0
    3.2655  -15.4648   -1.9597 H   0  0  0  0  0
    3.9751  -13.0870   -1.9974 H   0  0  0  0  0
    2.3985  -11.3159   -1.4262 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 17  1  0  0  0
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 18 19  1  0  0  0
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 21 22  2  0  0  0
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 25 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1642761

>  <PubChem CID>
53321176

>  <Formula>
C24H30N2

>  <Molecular Weight>
346.518000

>  <IUPAC Name>
2-(cyclohexen-1-yl)-N-[[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(=CC1)CCNCC2=CC=C(C=C2)N3CCCC4=CC=CC=C43

>  <Isomeric SMILES>
C1CCC(=CC1)CCNCC2=CC=C(C=C2)N3CCCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H30N2/c1-2-7-20(8-3-1)16-17-25-19-21-12-14-23(15-13-21)26-18-6-10-22-9-4-5-11-24(22)26/h4-5,7,9,11-15,25H,1-3,6,8,10,16-19H2

>  <InChI Key>
AARVZQPNWZBFDD-UHFFFAOYSA-N

