
 CHEMBL71586

 66 68  0  0  0  0  0  0  0  0999 V2000
    2.7253   -0.9813   -4.0354 C   0  0  0  0  0
    3.0785    0.1762   -3.0991 C   0  0  0  0  0
    2.6379    1.5411   -3.6835 C   0  0  0  0  0
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    2.4239    0.3659    2.4667 O   0  0  0  0  0
    2.3741    1.6414    3.0048 C   0  0  0  0  0
    2.8241    2.7840    2.3227 C   0  0  0  0  0
    2.6827    4.0515    2.8795 C   0  0  0  0  0
    2.1162    4.1954    4.1383 C   0  0  0  0  0
    1.6989    3.0734    4.8667 C   0  0  0  0  0
    1.1605    3.2403    6.1517 C   0  0  0  0  0
    0.7561    2.1405    6.9043 C   0  0  0  0  0
    0.8766    0.8607    6.3768 C   0  0  0  0  0
    1.4002    0.6793    5.0921 C   0  0  0  0  0
    1.8263    1.7744    4.3076 C   0  0  0  0  0
    1.1113   -1.2685    0.4739 O   0  0  0  0  0
    3.2371   -1.9008   -3.7328 H   0  0  0  0  0
    3.0366   -0.7588   -5.0616 H   0  0  0  0  0
    1.6501   -1.1875   -4.0451 H   0  0  0  0  0
    4.1722    0.2208   -3.0122 H   0  0  0  0  0
    3.1361    1.6728   -4.6530 H   0  0  0  0  0
    3.0146    2.3466   -3.0384 H   0  0  0  0  0
    0.6298    1.7782   -2.8886 H   0  0  0  0  0
    0.7099    0.8579   -4.3832 H   0  0  0  0  0
    1.4138    3.0412   -5.5675 H   0  0  0  0  0
    1.1034    3.8733   -4.0462 H   0  0  0  0  0
   -0.8456    4.1779   -5.3743 H   0  0  0  0  0
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   -2.7675    3.3772   -6.3841 H   0  0  0  0  0
   -1.8329   -0.0728   -7.5284 H   0  0  0  0  0
   -3.1621   -1.3314   -9.1127 H   0  0  0  0  0
   -5.8871    1.9894   -9.4957 H   0  0  0  0  0
   -4.5428    3.2755   -7.8933 H   0  0  0  0  0
    1.4934   -0.1089   -1.8142 H   0  0  0  0  0
    4.1462   -1.0725   -0.9775 H   0  0  0  0  0
    2.7375   -2.0587   -1.4408 H   0  0  0  0  0
    2.9731   -1.8730    1.0595 H   0  0  0  0  0
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    3.9497    0.4649    1.0722 H   0  0  0  0  0
    3.2864    2.7319    1.3436 H   0  0  0  0  0
    3.0161    4.9253    2.3254 H   0  0  0  0  0
    2.0119    5.1959    4.5531 H   0  0  0  0  0
    1.0594    4.2348    6.5809 H   0  0  0  0  0
    0.3506    2.2864    7.9025 H   0  0  0  0  0
    0.5682    0.0001    6.9644 H   0  0  0  0  0
    1.4877   -0.3333    4.7052 H   0  0  0  0  0
    0.8011   -0.9804    1.3532 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
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  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
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 29 30  2  0  0  0
 29 34  1  0  0  0
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 31 32  2  0  0  0
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 35 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL71586

>  <PubChem CID>
14485436

>  <Formula>
C27H31F3N2O3

>  <Molecular Weight>
488.551000

>  <IUPAC Name>
(6R)-6-[[(2R)-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>
C[C@H](CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NC[C@H](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)/t19-,23-/m1/s1

>  <InChI Key>
MZPZPLOHGVBKAT-AUSIDOKSSA-N

