
 CHEMBL217768

 62 65  0  0  0  0  0  0  0  0999 V2000
    2.4669    4.4389    2.8075 C   0  0  0  0  0
    2.2752    4.9913    1.4031 C   0  0  0  0  0
    2.9019    4.1168    0.3385 C   0  0  0  0  0
    4.2372    4.3284   -0.0478 C   0  0  0  0  0
    4.8945    3.5281   -0.9187 N   0  0  0  0  0
    4.2460    2.4719   -1.4495 C   0  0  0  0  0
    5.0630    1.6292   -2.3940 C   0  0  0  0  0
    4.4681    0.2472   -2.6386 C   0  0  0  0  0
    2.9902    0.3810   -2.9702 C   0  0  0  0  0
    2.2333    0.9837   -1.7856 C   0  0  0  0  0
    2.9120    2.1833   -1.1592 C   0  0  0  0  0
    2.2391    2.9955   -0.2118 C   0  0  0  0  0
    0.9482    2.5966    0.2121 N   0  0  0  0  0
   -0.3233    3.1903    0.1319 C   0  0  0  0  0
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   -2.6653    3.1048    0.8214 C   0  0  0  0  0
   -2.9628    4.3622    0.2745 C   0  0  0  0  0
   -1.8889    4.9876   -0.3862 C   0  0  0  0  0
   -0.5976    4.4188   -0.4584 C   0  0  0  0  0
   -4.2589    4.9010    0.3347 N   0  0  0  0  0
   -4.4779    6.2953   -0.1137 C   0  0  0  0  0
   -5.9843    6.6182   -0.2857 C   0  0  0  0  0
   -6.8584    6.2944    0.8635 N   0  0  0  0  0
   -6.6138    4.8792    1.2357 C   0  0  0  0  0
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   -7.4765    4.4159    2.4163 C   0  0  0  0  0
   -6.6663    7.2412    1.9592 C   0  0  0  0  0
    5.0736    5.4432    0.5165 C   0  0  0  0  0
    1.9961    5.1054    3.5369 H   0  0  0  0  0
    3.5272    4.3536    3.0643 H   0  0  0  0  0
    2.0142    3.4481    2.9121 H   0  0  0  0  0
    2.6856    6.0062    1.3522 H   0  0  0  0  0
    1.2107    5.1367    1.2232 H   0  0  0  0  0
    5.1429    2.1679   -3.3456 H   0  0  0  0  0
    6.0787    1.5146   -1.9967 H   0  0  0  0  0
    5.0006   -0.2462   -3.4592 H   0  0  0  0  0
    4.5932   -0.3819   -1.7478 H   0  0  0  0  0
    2.5659   -0.5980   -3.2194 H   0  0  0  0  0
    2.8691    1.0180   -3.8554 H   0  0  0  0  0
    2.1231    0.2127   -1.0136 H   0  0  0  0  0
    1.2307    1.2615   -2.1319 H   0  0  0  0  0
    0.8863    1.5898    0.3290 H   0  0  0  0  0
   -1.2247    1.5800    1.2526 H   0  0  0  0  0
   -3.4242    2.4989    1.3022 H   0  0  0  0  0
   -2.0107    5.9536   -0.8665 H   0  0  0  0  0
    0.1852    4.9599   -0.9787 H   0  0  0  0  0
   -4.0204    6.4680   -1.0936 H   0  0  0  0  0
   -4.0255    6.9896    0.6057 H   0  0  0  0  0
   -6.1004    7.6751   -0.5577 H   0  0  0  0  0
   -6.3558    6.0551   -1.1525 H   0  0  0  0  0
   -6.9435    4.2780    0.3754 H   0  0  0  0  0
   -4.7492    5.0156    2.3942 H   0  0  0  0  0
   -5.1018    3.4443    1.6676 H   0  0  0  0  0
   -7.1604    4.8700    3.3610 H   0  0  0  0  0
   -7.4051    3.3287    2.5362 H   0  0  0  0  0
   -8.5322    4.6570    2.2503 H   0  0  0  0  0
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   -5.6697    7.1898    2.4076 H   0  0  0  0  0
    4.6509    6.4158    0.2507 H   0  0  0  0  0
    6.0922    5.4046    0.1131 H   0  0  0  0  0
    5.1523    5.3560    1.6040 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
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 18 45  1  0  0  0
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 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
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 22 23  1  0  0  0
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 23 24  1  0  0  0
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 24 26  1  0  0  0
 24 51  1  0  0  0
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 25 53  1  0  0  0
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 27 59  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 28 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217768

>  <PubChem CID>
16090635

>  <Formula>
C24H34N4

>  <Molecular Weight>
378.564000

>  <IUPAC Name>
N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-3-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=C(N=C2CCCCC2=C1NC3=CC=C(C=C3)N4CCN(C(C4)C)C)C

>  <Isomeric SMILES>
CCC1=C(N=C2CCCCC2=C1NC3=CC=C(C=C3)N4CCN(C(C4)C)C)C

>  <InChI Std. ID>
InChI=1S/C24H34N4/c1-5-21-18(3)25-23-9-7-6-8-22(23)24(21)26-19-10-12-20(13-11-19)28-15-14-27(4)17(2)16-28/h10-13,17H,5-9,14-16H2,1-4H3,(H,25,26)

>  <InChI Key>
AWRXNUNJSQSZSP-UHFFFAOYSA-N

