
 CHEMBL3646995

 67 70  0  0  0  0  0  0  0  0999 V2000
    6.2969    3.6131    1.7620 C   0  0  0  0  0
    6.0961    2.8220    0.4723 C   0  0  0  0  0
    4.6414    2.4318    0.2657 C   0  0  0  0  0
    4.0846    1.1561    0.6108 C   0  0  0  0  0
    2.6771    0.9814    0.3864 C   0  0  0  0  0
    1.9137    2.0329   -0.1793 C   0  0  0  0  0
    2.4800    3.2485   -0.5165 C   0  0  0  0  0
    3.8280    3.4503   -0.2854 C   0  0  0  0  0
    1.8603   -0.2349    0.7845 C   0  0  0  0  0
    1.2267   -0.0880    2.1583 C   0  0  0  0  0
    4.9550    0.0647    1.1587 C   0  0  0  0  0
    5.8866    0.4254    2.0729 N   0  0  0  0  0
    6.7787   -0.5018    2.5207 C   0  0  0  0  0
    6.7027   -1.8576    2.1932 C   0  0  0  0  0
    7.6800   -2.8467    2.7912 C   0  0  0  0  0
    8.9611   -2.1863    3.1045 N   0  0  0  0  0
    8.7755   -1.0275    3.9919 C   0  0  0  0  0
    7.9720    0.0469    3.2630 C   0  0  0  0  0
    9.9808   -3.1068    3.4285 C   0  0  0  0  0
   10.6246   -3.8463    2.4094 C   0  0  0  0  0
   11.6101   -4.7896    2.7435 C   0  0  0  0  0
   11.9989   -4.9812    4.0679 C   0  0  0  0  0
   11.4033   -4.2430    5.0960 C   0  0  0  0  0
   10.4017   -3.3158    4.7589 C   0  0  0  0  0
   11.8988   -4.4394    6.5207 C   0  0  0  0  0
   13.0857   -3.5125    6.7976 C   0  0  0  0  0
   10.8226   -4.2596    7.5954 C   0  0  0  0  0
   10.2979   -3.6617    0.9491 C   0  0  0  0  0
    5.6813   -2.2495    1.3206 C   0  0  0  0  0
    4.8850   -1.2577    0.7280 C   0  0  0  0  0
    5.4449   -3.6877    0.9549 C   0  0  0  0  0
    7.3463    3.9031    1.8698 H   0  0  0  0  0
    6.0112    3.0331    2.6453 H   0  0  0  0  0
    5.6953    4.5295    1.7643 H   0  0  0  0  0
    6.7653    1.9586    0.4299 H   0  0  0  0  0
    6.4159    3.4477   -0.3722 H   0  0  0  0  0
    0.8445    1.8990   -0.3440 H   0  0  0  0  0
    1.8704    4.0421   -0.9406 H   0  0  0  0  0
    4.2610    4.4171   -0.5330 H   0  0  0  0  0
    2.4193   -1.1650    0.7573 H   0  0  0  0  0
    1.0674   -0.3831    0.0384 H   0  0  0  0  0
    1.9896    0.0134    2.9365 H   0  0  0  0  0
    0.6236   -0.9738    2.3855 H   0  0  0  0  0
    0.5699    0.7859    2.2058 H   0  0  0  0  0
    7.2373   -3.2698    3.7026 H   0  0  0  0  0
    7.8348   -3.6678    2.0867 H   0  0  0  0  0
    9.7412   -0.5963    4.2844 H   0  0  0  0  0
    8.2463   -1.3258    4.9066 H   0  0  0  0  0
    8.6181    0.5323    2.5204 H   0  0  0  0  0
    7.6511    0.8164    3.9731 H   0  0  0  0  0
   12.1012   -5.3686    1.9641 H   0  0  0  0  0
   12.7832   -5.7022    4.2884 H   0  0  0  0  0
    9.9360   -2.7466    5.5543 H   0  0  0  0  0
   12.2510   -5.4761    6.6115 H   0  0  0  0  0
   12.8002   -2.4581    6.7102 H   0  0  0  0  0
   13.9031   -3.6942    6.0906 H   0  0  0  0  0
   13.4784   -3.6744    7.8072 H   0  0  0  0  0
   10.4907   -3.2189    7.6761 H   0  0  0  0  0
   11.2122   -4.5514    8.5773 H   0  0  0  0  0
    9.9465   -4.8820    7.3843 H   0  0  0  0  0
   11.1505   -3.9430    0.3206 H   0  0  0  0  0
   10.0707   -2.6173    0.7195 H   0  0  0  0  0
    9.4505   -4.2933    0.6668 H   0  0  0  0  0
    4.2086   -1.5340   -0.0734 H   0  0  0  0  0
    4.4483   -3.8253    0.5190 H   0  0  0  0  0
    5.4805   -4.3212    1.8492 H   0  0  0  0  0
    6.1915   -4.0300    0.2333 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  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 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
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 10 44  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 29  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 28  1  0  0  0
 21 22  2  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 53  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
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 26 57  1  0  0  0
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 27 60  1  0  0  0
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 29 30  2  0  0  0
 29 31  1  0  0  0
 30 64  1  0  0  0
 31 65  1  0  0  0
 31 66  1  0  0  0
 31 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3646995

>  <PubChem CID>
71240462

>  <Formula>
C29H36N2

>  <Molecular Weight>
412.621000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C(=C2)C

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C(=C2)C

>  <InChI Std. ID>
InChI=1S/C29H36N2/c1-7-22-10-9-11-23(8-2)29(22)27-16-21(6)25-18-31(15-14-26(25)30-27)28-17-24(19(3)4)13-12-20(28)5/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3

>  <InChI Key>
AUNWKVLZWRYEBY-UHFFFAOYSA-N

