
 CHEMBL1083307

 59 61  0  0  0  0  0  0  0  0999 V2000
    8.2265    1.1558    2.8059 C   0  0  0  0  0
    8.1160    1.4947    1.3194 C   0  0  0  0  0
    8.8126    0.4302    0.4894 C   0  0  0  0  0
    8.1151   -0.7295    0.1009 C   0  0  0  0  0
    8.7483   -1.7478   -0.6156 C   0  0  0  0  0
   10.0931   -1.6311   -0.9530 C   0  0  0  0  0
   10.8052   -0.4957   -0.5715 C   0  0  0  0  0
   10.1736    0.5261    0.1466 C   0  0  0  0  0
   11.1439    1.8832    0.6022 Cl  0  0  0  0  0
    6.7114    1.5814    1.0316 O   0  0  0  0  0
    6.4070    2.4368   -0.0720 C   0  0  0  0  0
    4.9293    2.8413   -0.0048 C   0  0  0  0  0
    4.6177    3.5688    1.3232 C   0  0  0  0  0
    3.2349    4.0920    1.3037 N   0  0  0  0  0
    2.8637    4.9594    2.4614 C   0  0  0  0  0
    3.2302    4.2978    3.8052 C   0  0  0  0  0
    3.5937    6.3116    2.3400 C   0  0  0  0  0
    1.3136    5.1840    2.3532 C   0  0  0  0  0
    0.6462    5.9184    3.4979 C   0  0  0  0  0
    0.1499    5.2044    4.6004 C   0  0  0  0  0
   -0.4188    5.8614    5.7033 C   0  0  0  0  0
   -0.8837    5.1475    6.8199 C   0  0  0  0  0
   -1.4298    5.8146    7.9165 C   0  0  0  0  0
   -1.5219    7.2038    7.9094 C   0  0  0  0  0
   -1.0697    7.9271    6.8042 C   0  0  0  0  0
   -0.5138    7.2704    5.6941 C   0  0  0  0  0
   -0.0459    7.9801    4.5759 C   0  0  0  0  0
    0.5265    7.3114    3.4904 C   0  0  0  0  0
    4.6102    3.7078   -1.0982 O   0  0  0  0  0
    7.7143    1.9168    3.4042 H   0  0  0  0  0
    9.2686    1.0987    3.1347 H   0  0  0  0  0
    7.7402    0.2005    3.0337 H   0  0  0  0  0
    8.5636    2.4814    1.1589 H   0  0  0  0  0
    7.0658   -0.8477    0.3660 H   0  0  0  0  0
    8.1903   -2.6351   -0.9045 H   0  0  0  0  0
   10.5888   -2.4247   -1.5062 H   0  0  0  0  0
   11.8578   -0.4146   -0.8309 H   0  0  0  0  0
    6.6149    1.9147   -1.0122 H   0  0  0  0  0
    7.0273    3.3413   -0.0555 H   0  0  0  0  0
    4.2961    1.9494   -0.0836 H   0  0  0  0  0
    5.3270    4.3945    1.4343 H   0  0  0  0  0
    4.7557    2.8694    2.1543 H   0  0  0  0  0
    2.6049    3.2866    1.2848 H   0  0  0  0  0
    2.7358    3.3263    3.9179 H   0  0  0  0  0
    2.9439    4.9255    4.6559 H   0  0  0  0  0
    4.3100    4.1435    3.9074 H   0  0  0  0  0
    3.3530    6.8099    1.3939 H   0  0  0  0  0
    4.6815    6.2024    2.3923 H   0  0  0  0  0
    3.3188    6.9901    3.1543 H   0  0  0  0  0
    0.8097    4.2112    2.2525 H   0  0  0  0  0
    1.0832    5.7164    1.4188 H   0  0  0  0  0
    0.2270    4.1184    4.6088 H   0  0  0  0  0
   -0.8177    4.0622    6.8445 H   0  0  0  0  0
   -1.7805    5.2502    8.7761 H   0  0  0  0  0
   -1.9450    7.7255    8.7638 H   0  0  0  0  0
   -1.1488    9.0120    6.8176 H   0  0  0  0  0
   -0.1163    9.0649    4.5471 H   0  0  0  0  0
    0.8881    7.8910    2.6437 H   0  0  0  0  0
    3.8399    4.2252   -0.7826 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 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  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
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 28  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 56  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1083307

>  <PubChem CID>
46891532

>  <Formula>
C25H30ClNO2

>  <Molecular Weight>
411.970000

>  <IUPAC Name>
(2R)-1-[1-(2-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=C1Cl)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

>  <Isomeric SMILES>
CC(C1=CC=CC=C1Cl)OC[C@@H](CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

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

>  <InChI Key>
CFLJFAYDIFZILI-LMNIDFBRSA-N

