
 CHEMBL479557

 62 65  0  0  0  0  0  0  0  0999 V2000
    0.9861   -0.0089    0.2410 C   0  0  0  0  0
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    6.3455    0.8608    1.4623 N   0  0  0  0  0
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    8.9472   -1.8822    3.3690 C   0  0  0  0  0
    8.9368   -0.4385    3.8765 C   0  0  0  0  0
    8.2891    0.5080    2.8730 C   0  0  0  0  0
    6.7710   -2.4002    4.3342 N   0  0  0  0  0
    5.4263   -2.8143    4.2920 C   0  0  0  0  0
    4.4181   -2.0041    4.8347 C   0  0  0  0  0
    3.0942   -2.4720    4.8397 C   0  0  0  0  0
    2.8221   -3.7190    4.3031 C   0  0  0  0  0
    3.7641   -4.5336    3.7880 N   0  0  0  0  0
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    4.7090   -0.6684    5.4669 C   0  0  0  0  0
    4.8637   -0.8283    6.8739 O   0  0  0  0  0
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    5.3794   -0.9186    0.2290 C   0  0  0  0  0
    5.9003   -3.2067    0.8550 O   0  0  0  0  0
    4.5949   -3.6407    0.4677 C   0  0  0  0  0
    0.6354   -0.9604    0.6538 H   0  0  0  0  0
    0.4459    0.1492   -0.6976 H   0  0  0  0  0
    0.7144    0.7877    0.9407 H   0  0  0  0  0
    2.6868   -0.8300   -0.7410 H   0  0  0  0  0
    2.9165   -0.4080    0.9750 H   0  0  0  0  0
    4.6439    4.6919   -1.3996 H   0  0  0  0  0
    2.3588    4.1336   -1.9823 H   0  0  0  0  0
    1.4034    1.9864   -1.3743 H   0  0  0  0  0
    7.2258    2.4433   -0.5403 H   0  0  0  0  0
    6.6362    3.1800    0.9749 H   0  0  0  0  0
    8.0612    4.7148   -0.2589 H   0  0  0  0  0
    6.4267    5.3614   -0.1005 H   0  0  0  0  0
    6.9692    4.6780   -1.6520 H   0  0  0  0  0
    7.6026   -3.3783    2.6379 H   0  0  0  0  0
    9.4046   -2.5292    4.1283 H   0  0  0  0  0
    9.5729   -1.9502    2.4701 H   0  0  0  0  0
    9.9616   -0.1115    4.0849 H   0  0  0  0  0
    8.3962   -0.3831    4.8291 H   0  0  0  0  0
    9.0318    0.7422    2.0979 H   0  0  0  0  0
    8.0341    1.4537    3.3622 H   0  0  0  0  0
    7.2630   -3.0169    4.9817 H   0  0  0  0  0
    2.2929   -1.8742    5.2617 H   0  0  0  0  0
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    5.7671   -4.7597    3.4035 H   0  0  0  0  0
    3.8878    0.0321    5.2868 H   0  0  0  0  0
    5.6150   -0.2042    5.0628 H   0  0  0  0  0
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    4.7933   -1.2472   -0.6168 H   0  0  0  0  0
    4.5271   -4.7142    0.6665 H   0  0  0  0  0
    4.4413   -3.4894   -0.6049 H   0  0  0  0  0
    3.8093   -3.1404    1.0463 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
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 10 43  1  0  0  0
 10 44  1  0  0  0
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 11 29  1  0  0  0
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 31 60  1  0  0  0
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 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL479557

>  <PubChem CID>
25191129

>  <Formula>
C26H31N3O2

>  <Molecular Weight>
417.553000

>  <IUPAC Name>
[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]pyridin-4-yl]methanol

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)NC4=C(C=CN=C4)CO)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)NC4=C(C=CN=C4)CO)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C26H31N3O2/c1-4-17-8-6-9-18(5-2)25(17)22-14-24(31-3)26-20(28-22)10-7-11-21(26)29-23-15-27-13-12-19(23)16-30/h6,8-9,12-15,21,29-30H,4-5,7,10-11,16H2,1-3H3

>  <InChI Key>
APBZRDZUJOBALE-UHFFFAOYSA-N

