
 CHEMBL159093

 56 58  0  0  0  0  0  0  0  0999 V2000
    1.9468   -0.1833    0.4068 C   0  0  0  0  0
    3.2871    0.0017   -0.0287 O   0  0  0  0  0
    3.7364    1.2881   -0.1640 C   0  0  0  0  0
    2.9235    2.4197   -0.1171 C   0  0  0  0  0
    3.4870    3.6991   -0.2352 C   0  0  0  0  0
    4.8517    3.8605   -0.4647 C   0  0  0  0  0
    5.6667    2.7322   -0.5450 C   0  0  0  0  0
    5.1205    1.4556   -0.3388 C   0  0  0  0  0
    5.9299    0.3456   -0.2767 O   0  0  0  0  0
    6.5875    0.2667    0.9980 C   0  0  0  0  0
    6.1252   -0.9721    1.7282 C   0  0  0  0  0
    6.6802   -2.2171    1.4276 C   0  0  0  0  0
    6.2001   -3.3722    2.0505 C   0  0  0  0  0
    5.1441   -3.3051    2.9621 C   0  0  0  0  0
    4.6145   -2.0601    3.3003 C   0  0  0  0  0
    5.0974   -0.9020    2.6780 C   0  0  0  0  0
    4.7279   -4.5147    3.4356 O   0  0  0  0  0
    3.4332   -4.5876    4.0037 C   0  0  0  0  0
    3.0410   -5.8835    4.0215 F   0  0  0  0  0
    3.4488   -4.1346    5.2744 F   0  0  0  0  0
    2.5184   -3.8895    3.2935 F   0  0  0  0  0
    7.0037    2.9670   -0.7302 O   0  0  0  0  0
    7.5181    2.2872   -1.8771 C   0  0  0  0  0
    2.6459    4.8929   -0.0222 C   0  0  0  0  0
    1.4715    4.7582    0.5041 N   0  0  0  0  0
    0.7875    5.8963    0.7665 N   0  0  0  0  0
   -0.4277    5.9111    1.4295 C   0  0  0  0  0
   -1.0723    6.9566    1.5159 O   0  0  0  0  0
   -0.9722    4.6584    2.0368 C   0  0  0  0  0
   -2.3645    4.5098    2.0911 C   0  0  0  0  0
   -2.9265    3.3593    2.6478 C   0  0  0  0  0
   -2.1027    2.3509    3.1578 C   0  0  0  0  0
   -0.7172    2.5024    3.1381 C   0  0  0  0  0
   -0.1585    3.6622    2.5932 C   0  0  0  0  0
   -2.6517    1.2151    3.6848 O   0  0  0  0  0
   -4.6456    3.2167    2.6889 Cl  0  0  0  0  0
    1.2349    0.1527   -0.3528 H   0  0  0  0  0
    1.7694    0.3193    1.3648 H   0  0  0  0  0
    1.7897   -1.2548    0.5612 H   0  0  0  0  0
    1.8511    2.3341    0.0315 H   0  0  0  0  0
    5.2955    4.8477   -0.5557 H   0  0  0  0  0
    6.4382    1.1545    1.6280 H   0  0  0  0  0
    7.6652    0.1989    0.8107 H   0  0  0  0  0
    7.4752   -2.3032    0.6916 H   0  0  0  0  0
    6.6336   -4.3366    1.7942 H   0  0  0  0  0
    3.8155   -1.9528    4.0296 H   0  0  0  0  0
    4.6441    0.0584    2.9211 H   0  0  0  0  0
    8.3904    2.8465   -2.2284 H   0  0  0  0  0
    6.7931    2.2467   -2.6981 H   0  0  0  0  0
    7.8565    1.2817   -1.6112 H   0  0  0  0  0
    3.0765    5.8797   -0.2698 H   0  0  0  0  0
    1.1021    6.7855    0.3932 H   0  0  0  0  0
   -3.0089    5.2933    1.6961 H   0  0  0  0  0
   -0.0598    1.7390    3.5458 H   0  0  0  0  0
    0.9233    3.7780    2.6193 H   0  0  0  0  0
   -1.9474    0.6228    3.9938 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 10 43  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 22 23  1  0  0  0
 23 48  1  0  0  0
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 24 25  2  0  0  0
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 26 27  1  0  0  0
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 29 30  2  0  0  0
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 31 32  2  0  0  0
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 32 33  1  0  0  0
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 35 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL159093

>  <PubChem CID>
44373676

>  <Formula>
C24H20ClF3N2O6

>  <Molecular Weight>
524.877000

>  <IUPAC Name>
3-chloro-N-[(E)-[3,5-dimethoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methylideneamino]-4-hydroxybenzamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=CC(=CC(=C1OCC2=CC=C(C=C2)OC(F)(F)F)OC)C=NNC(=O)C3=CC(=C(C=C3)O)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OCC2=CC=C(C=C2)OC(F)(F)F)OC)/C=N/NC(=O)C3=CC(=C(C=C3)O)Cl

>  <InChI Std. ID>
InChI=1S/C24H20ClF3N2O6/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)36-24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+

>  <InChI Key>
ACVBJOZEKSRNDC-XKJRVUDJSA-N

