
 CHEMBL73722

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.3523    0.1123    0.2695 C   0  0  0  0  0
    2.8232   -0.1619   -0.0636 C   0  0  0  0  0
    2.9570   -0.9323   -1.4011 C   0  0  0  0  0
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    3.7910   -5.5221   -1.5785 O   0  0  0  0  0
    1.6925   -6.0288   -0.7008 N   0  0  0  0  0
    2.0254   -6.8720    0.3824 C   0  0  0  0  0
    3.3302   -7.0765    0.8338 C   0  0  0  0  0
    3.5889   -7.9452    1.9006 C   0  0  0  0  0
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    0.9765   -7.5284    1.0360 C   0  0  0  0  0
    2.8162   -9.5949    3.6628 C   0  0  0  0  0
    2.1467   -9.2702    4.8037 F   0  0  0  0  0
    2.4337  -10.8657    3.3555 F   0  0  0  0  0
    4.1304   -9.6758    4.0122 F   0  0  0  0  0
    3.6082    1.0819   -0.1742 N   0  0  0  0  0
    3.6537    1.9148    1.0484 C   0  0  0  0  0
    4.3476    1.2781    2.2750 C   0  0  0  0  0
    4.6354    2.3080    3.3854 C   0  0  0  0  0
    3.4280    2.9429    3.8205 O   0  0  0  0  0
    3.5626    3.9090    4.7942 C   0  0  0  0  0
    4.6018    3.9089    5.7330 C   0  0  0  0  0
    4.6814    4.9059    6.7019 C   0  0  0  0  0
    3.7218    5.9137    6.7456 C   0  0  0  0  0
    2.6609    5.9297    5.8351 C   0  0  0  0  0
    1.6923    6.9483    5.8946 C   0  0  0  0  0
    0.6227    6.9709    5.0023 C   0  0  0  0  0
    0.5044    5.9767    4.0403 C   0  0  0  0  0
    1.4614    4.9600    3.9628 C   0  0  0  0  0
    2.5601    4.9139    4.8488 C   0  0  0  0  0
    3.5449    0.2172    2.8116 O   0  0  0  0  0
    1.2357    0.6422    1.2191 H   0  0  0  0  0
    0.7893   -0.8188    0.3811 H   0  0  0  0  0
    0.8723    0.7070   -0.5151 H   0  0  0  0  0
    3.2578   -0.8043    0.7085 H   0  0  0  0  0
    4.0209   -1.0448   -1.6506 H   0  0  0  0  0
    2.4993   -0.3572   -2.2161 H   0  0  0  0  0
    1.2511   -2.2523   -1.1589 H   0  0  0  0  0
    2.7614   -2.8795   -0.4976 H   0  0  0  0  0
    3.6115   -3.2231   -2.8392 H   0  0  0  0  0
    2.1069   -2.5593   -3.4767 H   0  0  0  0  0
    1.9333   -4.9874   -3.5427 H   0  0  0  0  0
    0.8083   -4.3811   -2.3270 H   0  0  0  0  0
    0.7042   -5.9137   -0.8832 H   0  0  0  0  0
    4.1767   -6.5699    0.3807 H   0  0  0  0  0
    4.6200   -8.0872    2.2227 H   0  0  0  0  0
    0.4020   -8.9168    2.5804 H   0  0  0  0  0
   -0.0539   -7.3858    0.7196 H   0  0  0  0  0
    4.5624    0.8372   -0.4371 H   0  0  0  0  0
    2.6452    2.2535    1.3054 H   0  0  0  0  0
    4.2099    2.8195    0.7730 H   0  0  0  0  0
    5.3007    0.8361    1.9606 H   0  0  0  0  0
    5.3374    3.0651    3.0161 H   0  0  0  0  0
    5.0833    1.7587    4.2205 H   0  0  0  0  0
    5.3584    3.1332    5.7536 H   0  0  0  0  0
    5.4895    4.8943    7.4289 H   0  0  0  0  0
    3.8062    6.6839    7.5096 H   0  0  0  0  0
    1.7670    7.7335    6.6441 H   0  0  0  0  0
   -0.1177    7.7643    5.0631 H   0  0  0  0  0
   -0.3313    5.9855    3.3454 H   0  0  0  0  0
    1.3457    4.1913    3.2007 H   0  0  0  0  0
    3.9853   -0.1233    3.6077 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
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 22 23  1  0  0  0
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 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
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 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>
CHEMBL73722

>  <PubChem CID>
14485434

>  <Formula>
C27H31F3N2O3

>  <Molecular Weight>
488.551000

>  <IUPAC Name>
(6S)-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+/m0/s1

>  <InChI Key>
MZPZPLOHGVBKAT-WMZHIEFXSA-N

