
 CHEMBL2315048

 52 55  0  0  0  0  0  0  0  0999 V2000
   -7.0792   -6.1850   -4.8178 C   0  0  0  0  0
   -6.7302   -5.9961   -3.3296 C   0  0  0  0  0
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   -2.4922   -6.3481   -2.9860 O   0  0  0  0  0
   -2.2303   -4.2317   -4.0473 C   0  0  0  0  0
   -2.9056   -3.2825   -4.7594 N   0  0  0  0  0
   -2.1902   -2.2044   -5.1751 C   0  0  0  0  0
   -0.8317   -2.0577   -4.8941 C   0  0  0  0  0
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   -2.8147    1.1517   -4.8191 C   0  0  0  0  0
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   -4.7184    1.9249   -3.5141 C   0  0  0  0  0
   -5.3991    0.7479   -3.7994 C   0  0  0  0  0
   -4.8032   -0.2312   -4.5889 C   0  0  0  0  0
   -6.9851    0.5040   -3.1794 Cl  0  0  0  0  0
   -1.5594    1.2783   -5.3619 O   0  0  0  0  0
   -0.7964    2.4227   -4.9712 C   0  0  0  0  0
    0.5796    2.3503   -5.5822 C   0  0  0  0  0
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    2.7747    1.2983   -5.6863 C   0  0  0  0  0
    3.1661    2.2168   -6.6528 C   0  0  0  0  0
    2.2824    3.2031   -7.0902 C   0  0  0  0  0
    0.9893    3.2678   -6.5606 C   0  0  0  0  0
    4.7558    2.1436   -7.3071 Cl  0  0  0  0  0
    1.1373    0.5082   -4.2006 F   0  0  0  0  0
   -8.0621   -6.6158   -5.0229 H   0  0  0  0  0
   -6.9549   -5.2771   -5.4190 H   0  0  0  0  0
   -7.2757   -6.6729   -2.6617 H   0  0  0  0  0
   -6.8264   -4.9758   -2.9476 H   0  0  0  0  0
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   -4.6310   -4.5639   -4.4774 H   0  0  0  0  0
   -0.2885   -1.1851   -5.2421 H   0  0  0  0  0
    0.8856   -2.9382   -3.9362 H   0  0  0  0  0
   -0.3938   -4.9388   -3.1609 H   0  0  0  0  0
   -3.7119   -1.6156   -6.5487 H   0  0  0  0  0
   -2.2409   -0.7153   -6.7289 H   0  0  0  0  0
   -2.9414    3.0602   -3.7682 H   0  0  0  0  0
   -5.1809    2.6919   -2.8985 H   0  0  0  0  0
   -5.3414   -1.1529   -4.7988 H   0  0  0  0  0
   -0.6879    2.4672   -3.8806 H   0  0  0  0  0
   -1.2978    3.3337   -5.3193 H   0  0  0  0  0
    3.4520    0.5292   -5.3331 H   0  0  0  0  0
    2.5945    3.9264   -7.8416 H   0  0  0  0  0
    0.3127    4.0438   -6.9116 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 36  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
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 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315048

>  <PubChem CID>
71519329

>  <Formula>
C24H21Cl2FN2O2

>  <Molecular Weight>
459.342000

>  <IUPAC Name>
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-cyclobutylpyridine-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)NC(=O)C2=NC(=CC=C2)CC3=C(C=CC(=C3)Cl)OCC4=C(C=C(C=C4)Cl)F

>  <Isomeric SMILES>
C1CC(C1)NC(=O)C2=NC(=CC=C2)CC3=C(C=CC(=C3)Cl)OCC4=C(C=C(C=C4)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H21Cl2FN2O2/c25-17-9-10-23(31-14-15-7-8-18(26)13-21(15)27)16(11-17)12-20-5-2-6-22(28-20)24(30)29-19-3-1-4-19/h2,5-11,13,19H,1,3-4,12,14H2,(H,29,30)

>  <InChI Key>
YRORDIALXSEBNJ-UHFFFAOYSA-N

