
 CHEMBL217502

 61 65  0  0  0  0  0  0  0  0999 V2000
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   -9.0440    5.7011    5.9947 C   0  0  0  0  0
   -9.7932    6.7587    6.4106 F   0  0  0  0  0
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   -9.6069    4.5968    6.5585 F   0  0  0  0  0
   -4.2338   -6.0388   -0.4554 H   0  0  0  0  0
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   -5.1619   -3.4859   -0.7187 H   0  0  0  0  0
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   -3.8796   -3.2038    1.6881 H   0  0  0  0  0
   -4.6971   -4.0419    3.0329 H   0  0  0  0  0
   -7.3410    1.5231    2.7845 H   0  0  0  0  0
   -7.7419   -0.7671    1.9917 H   0  0  0  0  0
   -5.7658    3.1971    3.7696 H   0  0  0  0  0
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   -7.4190    7.7883    5.3335 H   0  0  0  0  0
   -5.0175    8.0595    5.8004 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 15  1  0  0  0
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 31 34  1  0  0  0
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 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217502

>  <PubChem CID>
22018957

>  <Formula>
C26H27F3N4O

>  <Molecular Weight>
468.524000

>  <IUPAC Name>
N-[2-(2,7-diazaspiro[4.4]nonan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CNCC12CCN(C2)C3=NC4=C(C=C3)C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CNCC12CCN(C2)C3=NC4=C(C=C3)C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H27F3N4O/c27-26(28,29)20-5-1-18(2-6-20)3-10-24(34)31-21-7-8-22-19(15-21)4-9-23(32-22)33-14-12-25(17-33)11-13-30-16-25/h1-2,4-9,15,30H,3,10-14,16-17H2,(H,31,34)

>  <InChI Key>
APRWXACNSKEQER-UHFFFAOYSA-N

