
 CHEMBL556364

 57 59  0  0  0  0  0  0  0  0999 V2000
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    3.1915    0.7197   -0.8936 N   0  0  0  0  0
    4.6792    0.8019   -0.8353 C   0  0  0  0  0
    5.4023   -0.1481   -1.8397 C   0  0  0  0  0
    5.1361    0.2620   -3.2935 C   0  0  0  0  0
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    5.1559    2.2746   -1.0814 C   0  0  0  0  0
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    7.2008    3.6486   -0.7332 C   0  0  0  0  0
    6.5875    4.6540   -1.0647 O   0  0  0  0  0
    8.6317    3.7723   -0.3425 C   0  0  0  0  0
    9.2947    5.0101   -0.4370 C   0  0  0  0  0
   10.6347    5.1057   -0.0626 C   0  0  0  0  0
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    9.3160    2.6840    0.1158 N   0  0  0  0  0
    4.7049    1.0907    3.1118 Cl  0  0  0  0  0
    4.0412   -1.4779    0.6675 H   0  0  0  0  0
    2.4767   -2.3319    0.6011 H   0  0  0  0  0
    2.6113   -0.7816    1.4800 H   0  0  0  0  0
    3.0074   -1.2775   -1.5417 H   0  0  0  0  0
    1.2301   -1.8655   -2.7163 H   0  0  0  0  0
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   -0.0252    2.2431    2.5503 H   0  0  0  0  0
    1.6173    1.0703    1.1862 H   0  0  0  0  0
    2.8391    1.1088   -1.7941 H   0  0  0  0  0
    4.9836    0.5246    0.1948 H   0  0  0  0  0
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    6.7184    1.7508   -3.3699 H   0  0  0  0  0
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    5.2651    3.7009   -2.7854 H   0  0  0  0  0
    3.8348    2.6829   -2.8058 H   0  0  0  0  0
    4.5629    2.9437   -0.4184 H   0  0  0  0  0
    7.0982    1.6115   -0.3957 H   0  0  0  0  0
    8.7803    5.8917   -0.8014 H   0  0  0  0  0
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   12.3434    4.0430    0.7039 H   0  0  0  0  0
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    3.6057    1.7794    2.6554 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
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 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556364

>  <PubChem CID>
11849389

>  <Formula>
C24H28ClN3O

>  <Molecular Weight>
409.958000

>  <IUPAC Name>
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]pyridine-2-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC3CCCCC3NC(=O)C4=CC=CC=N4.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)N[C@@H]3CCCC[C@H]3NC(=O)C4=CC=CC=N4.Cl

>  <InChI Std. ID>
InChI=1S/C24H27N3O.ClH/c1-17(19-12-8-10-18-9-2-3-11-20(18)19)26-21-13-4-5-14-22(21)27-24(28)23-15-6-7-16-25-23;/h2-3,6-12,15-17,21-22,26H,4-5,13-14H2,1H3,(H,27,28);1H/t17?,21-,22-;/m1./s1

>  <InChI Key>
MDKLEAYQTJPHPX-QLJIVMRRSA-N

