
 CHEMBL537205

 58 60  0  0  0  0  0  0  0  0999 V2000
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    7.9788    6.4504    0.1043 Cl  0  0  0  0  0
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    2.0827   -1.9711   -5.4815 H   0  0  0  0  0
    3.1450   -1.7688   -3.3033 H   0  0  0  0  0
    3.2409    0.4537   -0.2609 H   0  0  0  0  0
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   -0.8250    1.4123   -0.2436 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  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
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
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  7 12  1  0  0  0
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  8 38  1  0  0  0
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 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL537205

>  <PubChem CID>
11849385

>  <Formula>
C25H28Cl2N2O

>  <Molecular Weight>
443.412000

>  <IUPAC Name>
2-chloro-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=C4Cl.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)N[C@@H]3CCCC[C@H]3NC(=O)C4=CC=CC=C4Cl.Cl

>  <InChI Std. ID>
InChI=1S/C25H27ClN2O.ClH/c1-17(19-13-8-10-18-9-2-3-11-20(18)19)27-23-15-6-7-16-24(23)28-25(29)21-12-4-5-14-22(21)26;/h2-5,8-14,17,23-24,27H,6-7,15-16H2,1H3,(H,28,29);1H/t17?,23-,24-;/m1./s1

>  <InChI Key>
UOBFDBNFIFRTOT-NSCKWKRSSA-N

