
 CHEMBL330579

 63 65  0  0  0  0  0  0  0  0999 V2000
    2.1108    0.6119    8.2386 C   0  0  0  0  0
    0.9490    0.3166    7.4117 N   0  0  0  0  0
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    1.1650   -3.6192    0.0458 N   0  0  0  0  0
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    5.1880   -3.1176    4.5769 H   0  0  0  0  0
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    1.0533   -0.1016    3.7370 H   0  0  0  0  0
    3.3075   -0.6490    1.8584 H   0  0  0  0  0
    1.8501    0.2471    1.4827 H   0  0  0  0  0
    0.4162   -1.7026    2.0043 H   0  0  0  0  0
    1.8228   -2.6726    2.4232 H   0  0  0  0  0
    2.7396   -2.2403    0.0984 H   0  0  0  0  0
    1.1989   -1.5123   -0.3398 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
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  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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 30 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL330579

>  <PubChem CID>
10552132

>  <Formula>
C23H30F3N5O2

>  <Molecular Weight>
465.521000

>  <IUPAC Name>
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H30F3N5O2/c1-29(2)22(32)18-7-5-10-27-21(18)28-11-6-12-30-13-15-31(16-14-30)19-8-3-4-9-20(19)33-17-23(24,25)26/h3-5,7-10H,6,11-17H2,1-2H3,(H,27,28)

>  <InChI Key>
CSOCCMKODQKNLN-UHFFFAOYSA-N

