
 CHEMBL534718

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.6381    0.5723    1.6472 C   0  0  0  0  0
    2.9634    1.1601    1.1377 C   0  0  0  0  0
    4.0148    1.1717    2.2575 C   0  0  0  0  0
    4.3844   -0.0688    2.8191 C   0  0  0  0  0
    5.3571   -0.1521    3.8106 C   0  0  0  0  0
    6.0048    0.9918    4.2577 C   0  0  0  0  0
    5.6807    2.2438    3.7231 C   0  0  0  0  0
    6.3677    3.3829    4.1733 C   0  0  0  0  0
    6.0698    4.6381    3.6504 C   0  0  0  0  0
    5.0762    4.7741    2.6869 C   0  0  0  0  0
    4.3757    3.6570    2.2284 C   0  0  0  0  0
    4.6700    2.3606    2.7245 C   0  0  0  0  0
    3.4347    0.3835   -0.0332 N   0  0  0  0  0
    4.7651    0.7823   -0.5724 C   0  0  0  0  0
    5.2228   -0.2145   -1.6641 C   0  0  0  0  0
    4.3960   -0.0772   -2.9523 C   0  0  0  0  0
    4.4791    1.3597   -3.4865 C   0  0  0  0  0
    3.9745    2.3549   -2.4325 C   0  0  0  0  0
    4.7975    2.2456   -1.1245 C   0  0  0  0  0
    6.1731    2.7158   -1.2967 N   0  0  0  0  0
    6.4545    4.0436   -1.4960 C   0  0  0  0  0
    5.5317    4.8433   -1.5789 O   0  0  0  0  0
    7.8589    4.5737   -1.5541 C   0  0  0  0  0
    8.0566    5.9711   -1.6390 C   0  0  0  0  0
    9.3439    6.5116   -1.6721 C   0  0  0  0  0
   10.4565    5.6734   -1.6256 C   0  0  0  0  0
   10.2848    4.2914   -1.5465 C   0  0  0  0  0
    8.9993    3.7383   -1.5095 C   0  0  0  0  0
   -0.2520   -1.4428   -2.4868 Cl  0  0  0  0  0
    0.8731    0.6034    0.8418 H   0  0  0  0  0
    1.2615    1.1669    2.5067 H   0  0  0  0  0
    1.7511   -0.4848    1.9641 H   0  0  0  0  0
    2.6898    2.1655    0.7914 H   0  0  0  0  0
    3.9176   -0.9843    2.4800 H   0  0  0  0  0
    5.6194   -1.1159    4.2279 H   0  0  0  0  0
    6.7687    0.9009    5.0212 H   0  0  0  0  0
    7.1427    3.2967    4.9257 H   0  0  0  0  0
    6.6097    5.5104    3.9955 H   0  0  0  0  0
    4.8457    5.7539    2.2878 H   0  0  0  0  0
    3.6187    3.8419    1.4911 H   0  0  0  0  0
    2.7020    0.4054   -0.7744 H   0  0  0  0  0
    5.4991    0.7004    0.2562 H   0  0  0  0  0
    5.1617   -1.2544   -1.2768 H   0  0  0  0  0
    6.2862   -0.0195   -1.9213 H   0  0  0  0  0
    4.7833   -0.7808   -3.7196 H   0  0  0  0  0
    3.3349   -0.3450   -2.7645 H   0  0  0  0  0
    5.5321    1.6007   -3.7515 H   0  0  0  0  0
    3.8615    1.4480   -4.4058 H   0  0  0  0  0
    4.0124    3.3827   -2.8456 H   0  0  0  0  0
    2.9067    2.1384   -2.2194 H   0  0  0  0  0
    4.3518    2.9081   -0.3711 H   0  0  0  0  0
    6.9391    2.0468   -1.1632 H   0  0  0  0  0
    7.2118    6.6473   -1.6704 H   0  0  0  0  0
    9.4776    7.5841   -1.7313 H   0  0  0  0  0
   11.4528    6.0965   -1.6500 H   0  0  0  0  0
   11.1520    3.6446   -1.5110 H   0  0  0  0  0
    8.9192    2.6656   -1.4476 H   0  0  0  0  0
   -1.0383   -2.0708   -3.4258 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
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
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 15 16  1  0  0  0
 15 43  1  0  0  0
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 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 56  1  0  0  0
 28 57  1  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL534718

>  <PubChem CID>
11849379

>  <Formula>
C25H29ClN2O

>  <Molecular Weight>
408.970000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C25H28N2O.ClH/c1-18(21-15-9-13-19-10-5-6-14-22(19)21)26-23-16-7-8-17-24(23)27-25(28)20-11-3-2-4-12-20;/h2-6,9-15,18,23-24,26H,7-8,16-17H2,1H3,(H,27,28);1H/t18?,23-,24-;/m1./s1

>  <InChI Key>
NPNNYIMXBFYABJ-ACOCUZPYSA-N

