
 CHEMBL1203619

 56 58  0  0  0  0  0  0  0  0999 V2000
   -5.8342    2.4403   -1.9195 C   0  0  0  0  0
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   -3.7495    2.3354    1.2034 O   0  0  0  0  0
   -5.2672    0.5800   -0.3453 N   0  0  0  0  0
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   -6.7646   -5.6588    1.0978 C   0  0  0  0  0
   -6.4710   -4.4245    0.5104 C   0  0  0  0  0
   -7.0909   -2.6833   -2.6137 C   0  0  0  0  0
   -8.4168   -2.4417   -2.2054 C   0  0  0  0  0
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    1.0548    1.1192    1.4122 Cl  0  0  0  0  0
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   -6.1809    0.7198    0.1484 H   0  0  0  0  0
   -4.4518   -0.6396   -1.8856 H   0  0  0  0  0
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   -7.1534   -7.7477    0.7646 H   0  0  0  0  0
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    2.2297    0.7493    0.7994 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  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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 13 14  1  0  0  0
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 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1203619

>  <PubChem CID>
49861085

>  <Formula>
C25H28ClNO

>  <Molecular Weight>
393.955000

>  <IUPAC Name>
(2S,3S)-3-(3,3-diphenylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C(CC2=CC=CC=C21)O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1[C@@H]([C@H](CC2=CC=CC=C21)O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C25H27NO.ClH/c27-25-18-22-14-8-7-13-21(22)17-24(25)26-16-15-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20;/h1-14,23-27H,15-18H2;1H/t24-,25-;/m0./s1

>  <InChI Key>
QKWKGELYPUYRHL-DKIIUIKKSA-N

