
 CHEMBL534941

 59 61  0  0  0  0  0  0  0  0999 V2000
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    3.8324    0.3014   -1.2128 N   0  0  0  0  0
    5.1938    0.5314   -0.6646 C   0  0  0  0  0
    6.1784   -0.4987   -1.2765 C   0  0  0  0  0
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    7.6311    3.4040   -0.1658 C   0  0  0  0  0
    8.6182    3.4863    0.5469 O   0  0  0  0  0
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    2.3821    3.2700    1.4789 Cl  0  0  0  0  0
    1.2240    1.0642   -1.0243 H   0  0  0  0  0
    0.6741   -0.3081   -0.0068 H   0  0  0  0  0
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    2.8878    0.5139    0.6592 H   0  0  0  0  0
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    2.0164   -1.2080    4.6901 H   0  0  0  0  0
    2.3494   -0.2491    2.4924 H   0  0  0  0  0
    3.4679    1.1857   -1.6325 H   0  0  0  0  0
    5.1800    0.3807    0.4400 H   0  0  0  0  0
    5.8200   -1.5312   -1.0943 H   0  0  0  0  0
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    5.3921   -0.4121   -3.3072 H   0  0  0  0  0
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    7.3204    1.4602    0.3897 H   0  0  0  0  0
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    9.9031    4.9529   -0.6549 H   0  0  0  0  0
    1.0759    2.8751    1.6554 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
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  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL534941

>  <PubChem CID>
11849377

>  <Formula>
C25H29ClN2O2

>  <Molecular Weight>
424.969000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC3CCCCC3NC(=O)OC4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)N[C@@H]3CCCC[C@H]3NC(=O)OC4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C25H28N2O2.ClH/c1-18(21-15-9-11-19-10-5-6-14-22(19)21)26-23-16-7-8-17-24(23)27-25(28)29-20-12-3-2-4-13-20;/h2-6,9-15,18,23-24,26H,7-8,16-17H2,1H3,(H,27,28);1H/t18?,23-,24-;/m1./s1

>  <InChI Key>
IGTVCZBAKPCBLP-ACOCUZPYSA-N

