
 CHEMBL3703204

 64 66  0  0  0  0  0  0  0  0999 V2000
    3.3688   -2.3301   -0.0647 C   0  0  0  0  0
    3.0434   -0.8676   -0.3396 C   0  0  0  0  0
    3.9655   -0.1887   -1.3733 C   0  0  0  0  0
    4.1048   -0.9900   -2.6921 C   0  0  0  0  0
    2.8048   -1.2240   -3.4510 C   0  0  0  0  0
    3.5275    1.2684   -1.6931 C   0  0  0  0  0
    3.6047    2.3203   -0.5575 C   0  0  0  0  0
    3.2082    3.6950   -1.1460 C   0  0  0  0  0
    3.4435    4.8333   -0.1581 C   0  0  0  0  0
    4.8367    4.8097    0.2841 N   0  0  0  0  0
    5.1940    3.5856    0.9928 C   0  0  0  0  0
    5.0107    2.3712    0.0816 C   0  0  0  0  0
    5.8823    5.5713   -0.2374 C   0  0  0  0  0
    7.0493    5.2175   -0.0823 O   0  0  0  0  0
    5.5033    6.7286   -0.8800 N   0  0  0  0  0
    6.3592    7.7280   -1.3981 C   0  0  0  0  0
    7.7391    7.5730   -1.5460 C   0  0  0  0  0
    8.5414    8.6459   -1.9463 C   0  0  0  0  0
    7.9643    9.8922   -2.1904 C   0  0  0  0  0
    6.5785   10.0373   -2.1203 C   0  0  0  0  0
    5.7805    8.9574   -1.7347 C   0  0  0  0  0
    9.8935    8.3829   -1.9730 O   0  0  0  0  0
   10.7252    9.1010   -2.7947 C   0  0  0  0  0
   11.9888    9.3919   -2.2845 C   0  0  0  0  0
   12.8943   10.0968   -3.0653 C   0  0  0  0  0
   12.5612   10.5185   -4.3490 C   0  0  0  0  0
   11.3038   10.2073   -4.8840 C   0  0  0  0  0
   10.3982    9.4678   -4.1036 C   0  0  0  0  0
   10.8965   10.6808   -6.2548 C   0  0  0  0  0
   10.4159    9.6778   -7.0363 F   0  0  0  0  0
    9.9099   11.6182   -6.1999 F   0  0  0  0  0
   11.9116   11.2509   -6.9578 F   0  0  0  0  0
   14.1061   10.3843   -2.5741 F   0  0  0  0  0
    2.6133    1.9857    0.4201 O   0  0  0  0  0
    2.7457   -2.7023    0.7552 H   0  0  0  0  0
    4.4174   -2.4515    0.2249 H   0  0  0  0  0
    3.1709   -2.9618   -0.9353 H   0  0  0  0  0
    3.1304   -0.3441    0.6181 H   0  0  0  0  0
    1.9960   -0.7851   -0.6514 H   0  0  0  0  0
    4.9740   -0.1538   -0.9424 H   0  0  0  0  0
    4.5745   -1.9591   -2.4860 H   0  0  0  0  0
    4.8025   -0.4634   -3.3557 H   0  0  0  0  0
    2.0855   -1.7934   -2.8560 H   0  0  0  0  0
    3.0062   -1.7961   -4.3632 H   0  0  0  0  0
    2.3378   -0.2827   -3.7514 H   0  0  0  0  0
    2.4917    1.2416   -2.0571 H   0  0  0  0  0
    4.1458    1.6266   -2.5262 H   0  0  0  0  0
    2.1478    3.6921   -1.4274 H   0  0  0  0  0
    3.7921    3.8940   -2.0548 H   0  0  0  0  0
    3.1664    5.7780   -0.6274 H   0  0  0  0  0
    2.8094    4.7193    0.7281 H   0  0  0  0  0
    6.2241    3.6211    1.3620 H   0  0  0  0  0
    4.5517    3.5141    1.8786 H   0  0  0  0  0
    5.7678    2.4123   -0.7113 H   0  0  0  0  0
    5.1967    1.4704    0.6779 H   0  0  0  0  0
    4.5477    7.0164   -0.7495 H   0  0  0  0  0
    8.2309    6.6288   -1.3345 H   0  0  0  0  0
    8.5712   10.7587   -2.4307 H   0  0  0  0  0
    6.1229   10.9993   -2.3388 H   0  0  0  0  0
    4.7065    9.1065   -1.6633 H   0  0  0  0  0
   12.2701    9.0762   -1.2850 H   0  0  0  0  0
   13.2929   11.0857   -4.9224 H   0  0  0  0  0
    9.4320    9.1916   -4.5234 H   0  0  0  0  0
    2.8827    2.3115    1.2911 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5 43  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 12  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9 10  1  0  0  0
  9 50  1  0  0  0
  9 51  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
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 13 15  1  0  0  0
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 16 21  1  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
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 22 23  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 61  1  0  0  0
 25 26  2  0  0  0
 25 33  1  0  0  0
 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 29  1  0  0  0
 28 63  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 34 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3703204

>  <PubChem CID>
91826297

>  <Formula>
C25H30F4N2O3

>  <Molecular Weight>
482.520000

>  <IUPAC Name>
4-(2-ethylbutyl)-N-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC=C2)OC3=CC(=CC(=C3)C(F)(F)F)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC=C2)OC3=CC(=CC(=C3)C(F)(F)F)F)O

>  <InChI Std. ID>
InChI=1S/C25H30F4N2O3/c1-3-17(4-2)16-24(33)8-10-31(11-9-24)23(32)30-20-6-5-7-21(15-20)34-22-13-18(25(27,28)29)12-19(26)14-22/h5-7,12-15,17,33H,3-4,8-11,16H2,1-2H3,(H,30,32)

>  <InChI Key>
JYUZIAXLZMPCJX-UHFFFAOYSA-N

