
 CHEMBL3715244

 65 68  0  0  0  0  0  0  0  0999 V2000
    2.2976   -2.0716   -4.0352 C   0  0  0  0  0
    0.8784   -1.9288   -3.4964 C   0  0  0  0  0
    0.4501   -3.1791   -2.7213 C   0  0  0  0  0
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    1.2938   -4.5458    1.1361 O   0  0  0  0  0
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    3.1531   -5.2150    2.5572 C   0  0  0  0  0
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    1.4130   -6.8039    4.0274 C   0  0  0  0  0
    0.9138   -6.0377    2.9568 C   0  0  0  0  0
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   -1.2721   -6.5156    3.6618 O   0  0  0  0  0
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   -0.2870   -7.6385   -3.0642 C   0  0  0  0  0
    0.5632   -8.4012   -3.8667 C   0  0  0  0  0
    1.2617   -9.4764   -3.3246 C   0  0  0  0  0
    1.1183   -9.7973   -1.9685 C   0  0  0  0  0
    0.2573   -9.0196   -1.1693 C   0  0  0  0  0
    1.8708  -10.9556   -1.3636 C   0  0  0  0  0
    2.7190  -10.5657   -0.3733 F   0  0  0  0  0
    1.0438  -11.8820   -0.8061 F   0  0  0  0  0
    2.6389  -11.6368   -2.2628 F   0  0  0  0  0
    2.3173   -2.8446   -4.8138 H   0  0  0  0  0
    2.6215   -1.1364   -4.5050 H   0  0  0  0  0
    0.1878   -1.7590   -4.3304 H   0  0  0  0  0
    0.8187   -1.0449   -2.8501 H   0  0  0  0  0
   -0.5615   -3.0375   -2.3220 H   0  0  0  0  0
    0.3695   -4.0190   -3.4235 H   0  0  0  0  0
    3.4562   -3.9508   -1.3689 H   0  0  0  0  0
    2.7758   -4.5509   -2.8490 H   0  0  0  0  0
    3.3745   -1.6145   -2.2232 H   0  0  0  0  0
    4.2464   -2.6624   -3.3352 H   0  0  0  0  0
    0.1799   -2.6020   -0.2236 H   0  0  0  0  0
    1.6415   -1.7041   -0.6406 H   0  0  0  0  0
    1.7618   -2.5980    1.6429 H   0  0  0  0  0
    2.9866   -3.3981    0.6343 H   0  0  0  0  0
    3.8802   -4.6365    1.9975 H   0  0  0  0  0
    4.6873   -5.9428    3.8885 H   0  0  0  0  0
    3.1320   -7.3685    5.1939 H   0  0  0  0  0
    0.7402   -7.4289    4.6143 H   0  0  0  0  0
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   -5.2440   -4.2515    2.7570 H   0  0  0  0  0
   -6.1302   -4.5028    0.4505 H   0  0  0  0  0
   -4.6640   -5.3687   -1.3449 H   0  0  0  0  0
   -1.3478   -7.5312    0.1128 H   0  0  0  0  0
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    0.6749   -8.1501   -4.9189 H   0  0  0  0  0
    1.9181  -10.0615   -3.9666 H   0  0  0  0  0
    0.1475   -9.2742   -0.1158 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  8 50  1  0  0  0
  8 51  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
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 23 24  2  0  0  0
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 24 25  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 62  1  0  0  0
 30 31  2  0  0  0
 30 63  1  0  0  0
 31 32  1  0  0  0
 31 64  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 33 65  1  0  0  0
 34 37  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3715244

>  <PubChem CID>
90011735

>  <Formula>
C28H28F3N3O3

>  <Molecular Weight>
511.545000

>  <IUPAC Name>
2-[[2-(2-piperidin-1-ylethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)CCOC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCN(CC1)CCOC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H28F3N3O3/c29-28(30,31)20-9-8-10-21(19-20)32-26(35)22-11-2-4-13-24(22)33-27(36)23-12-3-5-14-25(23)37-18-17-34-15-6-1-7-16-34/h2-5,8-14,19H,1,6-7,15-18H2,(H,32,35)(H,33,36)

>  <InChI Key>
ACZWQXIJGVNQTN-UHFFFAOYSA-N

