
 CHEMBL556781

 62 64  0  0  0  0  0  0  0  0999 V2000
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    7.1294   -4.4119    2.4444 C   0  0  0  0  0
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    6.2317    0.5406   -2.3704 N   0  0  0  0  0
    6.6361    1.8297   -2.1534 C   0  0  0  0  0
    6.8885    2.2011   -1.0147 O   0  0  0  0  0
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    7.2041    5.5712   -6.4303 O   0  0  0  0  0
    7.6625    6.8767   -6.5499 C   0  0  0  0  0
    8.6822    6.9036   -7.4819 F   0  0  0  0  0
    6.6264    7.6638   -7.0128 F   0  0  0  0  0
    8.1281    7.4289   -5.3773 F   0  0  0  0  0
   -3.5688    0.2294   -1.4724 Cl  0  0  0  0  0
    9.7508   -2.1874   -0.1975 H   0  0  0  0  0
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    6.1880   -7.6594    3.0755 H   0  0  0  0  0
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    7.0209   -2.1702    5.0318 H   0  0  0  0  0
    7.5730   -2.2852    2.6839 H   0  0  0  0  0
    6.8650   -1.7855    0.7657 H   0  0  0  0  0
    8.1150   -0.9708   -1.1948 H   0  0  0  0  0
    7.9174   -3.0329   -2.6890 H   0  0  0  0  0
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    7.8133    4.2828   -2.0618 H   0  0  0  0  0
    8.0907    5.8987   -3.8186 H   0  0  0  0  0
    6.1204    3.2506   -6.6012 H   0  0  0  0  0
    5.8423    1.6160   -4.8441 H   0  0  0  0  0
   -4.7629   -0.2261   -1.9813 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 13  1  0  0  0
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  3  4  2  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 41  1  0  0  0
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  7 12  1  0  0  0
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  9 43  1  0  0  0
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 34 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556781

>  <PubChem CID>
11849381

>  <Formula>
C26H28ClF3N2O2

>  <Molecular Weight>
492.967000

>  <IUPAC Name>
N-[(1R,2R)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C26H27F3N2O2.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29;/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32);1H/t17-,23-,24-;/m1./s1

>  <InChI Key>
DUVWTKJNMGYCBL-ZGBUJFISSA-N

