
 CHEMBL1083308

 59 61  0  0  0  0  0  0  0  0999 V2000
    8.2545    0.9065    2.6979 C   0  0  0  0  0
    8.1571    1.4920    1.2903 C   0  0  0  0  0
    8.9667    0.6552    0.3199 C   0  0  0  0  0
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   10.5273   -0.9055   -1.4212 C   0  0  0  0  0
   11.0799    0.2171   -0.8065 C   0  0  0  0  0
   10.3051    0.9919    0.0589 C   0  0  0  0  0
    8.5221   -2.6398   -1.9198 Cl  0  0  0  0  0
    6.7655    1.5409    0.9552 O   0  0  0  0  0
    6.4716    2.4032   -0.1467 C   0  0  0  0  0
    4.9988    2.8227   -0.0841 C   0  0  0  0  0
    4.6968    3.5706    1.2332 C   0  0  0  0  0
    3.3152    4.0953    1.2121 N   0  0  0  0  0
    2.9488    4.9745    2.3622 C   0  0  0  0  0
    3.3370    4.3362    3.7112 C   0  0  0  0  0
    3.6653    6.3309    2.2120 C   0  0  0  0  0
    1.3954    5.1826    2.2678 C   0  0  0  0  0
    0.7351    5.9299    3.4082 C   0  0  0  0  0
    0.2588    5.2289    4.5279 C   0  0  0  0  0
   -0.3033    5.8986    5.6260 C   0  0  0  0  0
   -0.7475    5.2001    6.7591 C   0  0  0  0  0
   -1.2879    5.8805    7.8510 C   0  0  0  0  0
   -1.3947    7.2681    7.8211 C   0  0  0  0  0
   -0.9622    7.9767    6.6986 C   0  0  0  0  0
   -0.4125    7.3068    5.5933 C   0  0  0  0  0
    0.0351    8.0013    4.4597 C   0  0  0  0  0
    0.6021    7.3209    3.3782 C   0  0  0  0  0
    4.6889    3.6784   -1.1888 O   0  0  0  0  0
    7.6677    1.5090    3.4009 H   0  0  0  0  0
    9.2907    0.8723    3.0509 H   0  0  0  0  0
    7.8432   -0.1092    2.7375 H   0  0  0  0  0
    8.5477    2.5170    1.3222 H   0  0  0  0  0
    7.3947   -0.7704   -0.0970 H   0  0  0  0  0
   11.1328   -1.5056   -2.0950 H   0  0  0  0  0
   12.1158    0.4874   -0.9990 H   0  0  0  0  0
   10.7560    1.8603    0.5349 H   0  0  0  0  0
    6.6690    1.8777   -1.0879 H   0  0  0  0  0
    7.1064    3.2982   -0.1332 H   0  0  0  0  0
    4.3568    1.9359   -0.1510 H   0  0  0  0  0
    5.4075    4.3973    1.3275 H   0  0  0  0  0
    4.8385    2.8838    2.0738 H   0  0  0  0  0
    2.6841    3.2904    1.2025 H   0  0  0  0  0
    2.8564    3.3600    3.8417 H   0  0  0  0  0
    3.0511    4.9715    4.5560 H   0  0  0  0  0
    4.4195    4.1975    3.8045 H   0  0  0  0  0
    3.4034    6.8166    1.2651 H   0  0  0  0  0
    4.7548    6.2306    2.2448 H   0  0  0  0  0
    3.3998    7.0160    3.0237 H   0  0  0  0  0
    0.9003    4.2037    2.1890 H   0  0  0  0  0
    1.1494    5.6974    1.3276 H   0  0  0  0  0
    0.3469    4.1447    4.5535 H   0  0  0  0  0
   -0.6700    4.1156    6.8020 H   0  0  0  0  0
   -1.6230    5.3270    8.7240 H   0  0  0  0  0
   -1.8133    7.7996    8.6709 H   0  0  0  0  0
   -1.0536    9.0606    6.6940 H   0  0  0  0  0
   -0.0463    9.0856    4.4125 H   0  0  0  0  0
    0.9483    7.8884    2.5180 H   0  0  0  0  0
    3.9116    4.1938   -0.8868 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 10  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5  9  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 37  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 29  1  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
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 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1083308

>  <PubChem CID>
46891533

>  <Formula>
C25H30ClNO2

>  <Molecular Weight>
411.970000

>  <IUPAC Name>
(2R)-1-[1-(3-chlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)Cl)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)Cl)OC[C@@H](CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

>  <InChI Std. ID>
InChI=1S/C25H30ClNO2/c1-18(21-9-6-10-23(26)14-21)29-17-24(28)16-27-25(2,3)15-19-11-12-20-7-4-5-8-22(20)13-19/h4-14,18,24,27-28H,15-17H2,1-3H3/t18?,24-/m1/s1

>  <InChI Key>
DBRAEKJTQXKQQT-VCUSLETLSA-N

