
 CHEMBL90869

 62 64  0  0  0  0  0  0  0  0999 V2000
    5.3821    2.3676   -2.6839 C   0  0  0  0  0
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    1.0001   -7.5205    2.7951 C   0  0  0  0  0
    2.3638   -8.0897    2.4176 C   0  0  0  0  0
    3.2606   -7.8756    3.4122 F   0  0  0  0  0
    2.2894   -9.4310    2.2391 F   0  0  0  0  0
    2.8746   -7.5569    1.2909 F   0  0  0  0  0
    5.3137    3.4022   -2.3319 H   0  0  0  0  0
    5.6682    2.3620   -3.7380 H   0  0  0  0  0
    6.1452    1.8387   -2.1111 H   0  0  0  0  0
    2.9828    3.1888   -3.5782 H   0  0  0  0  0
    2.0992    1.6671   -3.3302 H   0  0  0  0  0
    3.4252    1.7318   -4.5134 H   0  0  0  0  0
    6.9864    0.8334    2.6681 H   0  0  0  0  0
    5.7804    2.9519    2.1057 H   0  0  0  0  0
    4.2328    2.9143    0.1619 H   0  0  0  0  0
    4.2627   -1.2944   -2.3366 H   0  0  0  0  0
    3.1217   -1.7027   -1.0248 H   0  0  0  0  0
    3.2746   -3.5178   -2.6335 H   0  0  0  0  0
    5.0222   -3.5522   -2.5105 H   0  0  0  0  0
    4.0972   -5.3820   -1.1660 H   0  0  0  0  0
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    0.3205   -8.2955    3.1692 H   0  0  0  0  0
    1.1441   -6.8374    3.6402 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
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  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
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  6 11  1  0  0  0
  7  8  1  0  0  0
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  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>
CHEMBL90869

>  <PubChem CID>
10552164

>  <Formula>
C23H29F3N4O3

>  <Molecular Weight>
466.505000

>  <IUPAC Name>
N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)N2CCC(CC2)NCCOC3=CC=CC=C3OCC(F)(F)F

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)N2CCC(CC2)NCCOC3=CC=CC=C3OCC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3

>  <InChI Key>
LIKJINLMRISDIC-UHFFFAOYSA-N

