
 CHEMBL70840

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.4949    0.0707    0.2650 C   0  0  0  0  0
    2.9633   -0.0122   -0.1727 C   0  0  0  0  0
    3.1207   -0.9514   -1.3906 C   0  0  0  0  0
    2.3957   -0.4873   -2.6592 C   0  0  0  0  0
    2.5466   -1.4984   -3.7999 C   0  0  0  0  0
    1.8509   -0.9939   -5.0635 C   0  0  0  0  0
    1.9087   -1.9912   -6.2087 C   0  0  0  0  0
    0.8832   -2.5137   -6.6325 O   0  0  0  0  0
    3.1929   -2.1887   -6.6835 N   0  0  0  0  0
    3.5967   -3.0021   -7.7618 C   0  0  0  0  0
    2.7159   -3.7064   -8.5847 C   0  0  0  0  0
    3.1993   -4.4872   -9.6428 C   0  0  0  0  0
    4.5740   -4.5806   -9.8955 C   0  0  0  0  0
    5.4560   -3.8717   -9.0688 C   0  0  0  0  0
    4.9706   -3.0894   -8.0160 C   0  0  0  0  0
    5.1104   -5.4217  -11.0276 C   0  0  0  0  0
    5.8275   -4.6888  -11.9247 F   0  0  0  0  0
    5.9508   -6.4019  -10.5930 F   0  0  0  0  0
    4.1435   -6.0527  -11.7499 F   0  0  0  0  0
    3.5310    1.3160   -0.4663 N   0  0  0  0  0
    3.5813    2.1807    0.7233 C   0  0  0  0  0
    4.3224    3.5125    0.4678 C   0  0  0  0  0
    4.2505    4.3603    1.7481 C   0  0  0  0  0
    4.8385    5.6533    1.5470 O   0  0  0  0  0
    4.8760    6.4734    2.6617 C   0  0  0  0  0
    4.3102    6.1247    3.8982 C   0  0  0  0  0
    4.4043    6.9780    4.9944 C   0  0  0  0  0
    5.0650    8.1947    4.8735 C   0  0  0  0  0
    5.6285    8.5826    3.6516 C   0  0  0  0  0
    6.2848    9.8187    3.5482 C   0  0  0  0  0
    6.8432   10.2329    2.3398 C   0  0  0  0  0
    6.7485    9.4140    1.2213 C   0  0  0  0  0
    6.1035    8.1759    1.3111 C   0  0  0  0  0
    5.5334    7.7249    2.5228 C   0  0  0  0  0
    5.6928    3.2395    0.1407 O   0  0  0  0  0
    1.4000    0.5153    1.2611 H   0  0  0  0  0
    1.0459   -0.9271    0.3176 H   0  0  0  0  0
    0.8974    0.6743   -0.4268 H   0  0  0  0  0
    3.5348   -0.4693    0.6462 H   0  0  0  0  0
    2.7517   -1.9477   -1.1128 H   0  0  0  0  0
    4.1892   -1.0748   -1.6118 H   0  0  0  0  0
    2.7952    0.4815   -2.9804 H   0  0  0  0  0
    1.3287   -0.3475   -2.4538 H   0  0  0  0  0
    2.1166   -2.4632   -3.5033 H   0  0  0  0  0
    3.6107   -1.6760   -3.9936 H   0  0  0  0  0
    2.2983   -0.0519   -5.4020 H   0  0  0  0  0
    0.7945   -0.7878   -4.8518 H   0  0  0  0  0
    3.9340   -1.6969   -6.2009 H   0  0  0  0  0
    1.6410   -3.6652   -8.4365 H   0  0  0  0  0
    2.4859   -5.0222  -10.2689 H   0  0  0  0  0
    6.5299   -3.9269   -9.2425 H   0  0  0  0  0
    5.6859   -2.5547   -7.3957 H   0  0  0  0  0
    4.4933    1.2142   -0.8021 H   0  0  0  0  0
    4.0969    1.6438    1.5300 H   0  0  0  0  0
    2.5635    2.4127    1.0532 H   0  0  0  0  0
    3.8829    4.0541   -0.3777 H   0  0  0  0  0
    4.8041    3.8383    2.5391 H   0  0  0  0  0
    3.1972    4.4838    2.0266 H   0  0  0  0  0
    3.7841    5.1888    4.0516 H   0  0  0  0  0
    3.9635    6.6909    5.9459 H   0  0  0  0  0
    5.1317    8.8439    5.7440 H   0  0  0  0  0
    6.3666   10.4740    4.4138 H   0  0  0  0  0
    7.3473   11.1929    2.2769 H   0  0  0  0  0
    7.1756    9.7368    0.2760 H   0  0  0  0  0
    6.0418    7.5575    0.4183 H   0  0  0  0  0
    6.1350    4.1088    0.1038 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6  7  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 49  1  0  0  0
 12 13  2  0  0  0
 12 50  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 51  1  0  0  0
 15 52  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 35  1  0  0  0
 22 23  1  0  0  0
 22 56  1  0  0  0
 23 24  1  0  0  0
 23 57  1  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 34  1  0  0  0
 26 27  1  0  0  0
 26 59  1  0  0  0
 27 28  2  0  0  0
 27 60  1  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 62  1  0  0  0
 31 32  2  0  0  0
 31 63  1  0  0  0
 32 33  1  0  0  0
 32 64  1  0  0  0
 33 34  2  0  0  0
 33 65  1  0  0  0
 35 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL70840

>  <PubChem CID>
14485428

>  <Formula>
C27H31F3N2O3

>  <Molecular Weight>
488.551000

>  <IUPAC Name>
6-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]heptanamide

>  <XlogP>
5.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NCC(COC2=CC=CC3=CC=CC=C32)O

>  <Isomeric SMILES>
CC(CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NCC(COC2=CC=CC3=CC=CC=C32)O

>  <InChI Std. ID>
InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)

>  <InChI Key>
MZPZPLOHGVBKAT-UHFFFAOYSA-N

