
 CHEMBL2435945

 57 60  0  0  0  0  0  0  0  0999 V2000
    3.9796    0.6911   -1.8682 C   0  0  0  0  0
    3.3967    1.1057   -0.5064 C   0  0  0  0  0
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    1.1297   -3.9092    2.3757 F   0  0  0  0  0
    5.8937   -2.1122    2.6102 C   0  0  0  0  0
    5.7396   -2.2758    3.9544 F   0  0  0  0  0
    6.3129   -3.3183    2.1358 F   0  0  0  0  0
    6.9454   -1.2620    2.4578 F   0  0  0  0  0
    3.8829    2.4246   -0.0112 N   0  0  0  0  0
    2.9296    3.5287    0.2687 C   0  0  0  0  0
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    0.4169    3.4102    0.9304 C   0  0  0  0  0
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   -1.1470    3.1553   -0.9070 C   0  0  0  0  0
   -0.1791    3.1608   -1.8353 N   0  0  0  0  0
    1.0839    3.2785   -1.3766 C   0  0  0  0  0
    0.5994    3.6660    2.3828 C   0  0  0  0  0
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    1.6746    3.2468    4.5378 C   0  0  0  0  0
    1.5303    2.9713    3.1701 C   0  0  0  0  0
    5.2854    2.6566    0.0632 C   0  0  0  0  0
    6.0747    1.7947   -0.3145 O   0  0  0  0  0
    5.8330    3.9082    0.5881 C   0  0  0  0  0
    7.1594    4.2233    0.8536 C   0  0  0  0  0
    7.1906    5.5598    1.3179 C   0  0  0  0  0
    5.8876    5.9909    1.3082 C   0  0  0  0  0
    5.0658    5.0039    0.8762 O   0  0  0  0  0
    3.3845   -0.1192   -2.3063 H   0  0  0  0  0
    5.0041    0.3137   -1.7993 H   0  0  0  0  0
    3.9693    1.5315   -2.5703 H   0  0  0  0  0
    2.3370    1.2346   -0.7209 H   0  0  0  0  0
    5.5385    0.0450    1.0002 H   0  0  0  0  0
    3.4590   -3.3010    2.6932 H   0  0  0  0  0
    1.3478   -0.5454    0.1546 H   0  0  0  0  0
    3.2468    4.3780   -0.3503 H   0  0  0  0  0
    3.0844    3.8307    1.3055 H   0  0  0  0  0
   -1.7499    3.2797    1.1316 H   0  0  0  0  0
   -2.1609    3.0694   -1.2879 H   0  0  0  0  0
    1.8381    3.2969   -2.1635 H   0  0  0  0  0
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   -0.7366    5.6077    4.8831 H   0  0  0  0  0
    0.9647    4.3933    6.2189 H   0  0  0  0  0
    2.4197    2.7139    5.1202 H   0  0  0  0  0
    2.1631    2.2030    2.7312 H   0  0  0  0  0
    7.9967    3.5523    0.7188 H   0  0  0  0  0
    8.0559    6.1367    1.6165 H   0  0  0  0  0
    5.4049    6.9246    1.5644 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
  1 40  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 44  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 13 16  1  0  0  0
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 13 14  1  0  0  0
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 18 46  1  0  0  0
 19 20  2  0  0  0
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 20 21  1  0  0  0
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 36 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2435945

>  <PubChem CID>
73353943

>  <Formula>
C27H20F6N2O2

>  <Molecular Weight>
518.459000

>  <IUPAC Name>
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenylpyridin-3-yl)methyl]furan-2-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N(CC2=C(C=CN=C2)C3=CC=CC=C3)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N(CC2=C(C=CN=C2)C3=CC=CC=C3)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3

>  <InChI Key>
DFLNKQIQSDHWAQ-UHFFFAOYSA-N

