
 CHEMBL348785

 61 63  0  0  0  0  0  0  0  0999 V2000
    3.2899    5.7232    5.0062 C   0  0  0  0  0
    4.7062    5.1466    5.0608 C   0  0  0  0  0
    4.7101    3.7993    5.7897 C   0  0  0  0  0
    5.3067    5.0924    3.6662 C   0  0  0  0  0
    6.0707    6.1763    3.2071 C   0  0  0  0  0
    6.6196    6.1740    1.9220 C   0  0  0  0  0
    6.4200    5.0859    1.0637 C   0  0  0  0  0
    5.6382    4.0144    1.5073 C   0  0  0  0  0
    5.0870    4.0183    2.7925 C   0  0  0  0  0
    7.0128    5.0854   -0.3252 C   0  0  0  0  0
    6.0572    5.5725   -1.2757 O   0  0  0  0  0
    6.4194    6.8081   -1.7657 C   0  0  0  0  0
    5.6486    7.9185   -1.3827 C   0  0  0  0  0
    6.0360    9.1840   -1.8129 C   0  0  0  0  0
    7.1499    9.3269   -2.6503 C   0  0  0  0  0
    7.8673    8.2137   -3.0984 C   0  0  0  0  0
    7.5050    6.9401   -2.6561 C   0  0  0  0  0
    8.1509    5.7803   -2.9990 O   0  0  0  0  0
    9.2120    5.8663   -3.9404 C   0  0  0  0  0
    7.6398   10.6775   -2.9927 C   0  0  0  0  0
    7.2685   11.6927   -2.2833 N   0  0  0  0  0
    7.8282   12.8851   -2.5953 N   0  0  0  0  0
    7.6338   14.0317   -1.8456 C   0  0  0  0  0
    8.0317   15.1184   -2.2642 O   0  0  0  0  0
    6.9385   13.9628   -0.5265 C   0  0  0  0  0
    6.1853   15.0720   -0.1231 C   0  0  0  0  0
    5.5214   15.0590    1.1052 C   0  0  0  0  0
    5.6111   13.9396    1.9418 C   0  0  0  0  0
    6.3832   12.8439    1.5630 C   0  0  0  0  0
    7.0572   12.8643    0.3380 C   0  0  0  0  0
    4.9471   13.9212    3.1363 O   0  0  0  0  0
    4.5967   16.4442    1.5599 Cl  0  0  0  0  0
    4.5871    7.6738   -0.5532 O   0  0  0  0  0
    3.6279    8.7115   -0.3999 C   0  0  0  0  0
    3.2893    6.7245    4.5609 H   0  0  0  0  0
    2.8653    5.8061    6.0125 H   0  0  0  0  0
    2.6218    5.0934    4.4080 H   0  0  0  0  0
    5.3225    5.8247    5.6670 H   0  0  0  0  0
    4.0268    3.0785    5.3284 H   0  0  0  0  0
    4.3921    3.9279    6.8303 H   0  0  0  0  0
    5.7131    3.3591    5.7984 H   0  0  0  0  0
    6.2378    7.0390    3.8480 H   0  0  0  0  0
    7.1954    7.0345    1.5889 H   0  0  0  0  0
    5.4447    3.1715    0.8481 H   0  0  0  0  0
    4.4745    3.1723    3.0930 H   0  0  0  0  0
    7.2703    4.0588   -0.6123 H   0  0  0  0  0
    7.9584    5.6458   -0.3193 H   0  0  0  0  0
    5.5042   10.0740   -1.4902 H   0  0  0  0  0
    8.7213    8.3636   -3.7490 H   0  0  0  0  0
    9.5799    4.8522   -4.1231 H   0  0  0  0  0
   10.0443    6.4545   -3.5404 H   0  0  0  0  0
    8.8625    6.2723   -4.8953 H   0  0  0  0  0
    8.3682   10.7664   -3.8185 H   0  0  0  0  0
    8.3262   13.0065   -3.4715 H   0  0  0  0  0
    6.1160   15.9439   -0.7689 H   0  0  0  0  0
    6.4790   11.9724    2.2029 H   0  0  0  0  0
    7.6809   12.0138    0.0737 H   0  0  0  0  0
    5.1048   13.0735    3.5823 H   0  0  0  0  0
    2.7772    8.3022    0.1532 H   0  0  0  0  0
    3.2575    9.0612   -1.3696 H   0  0  0  0  0
    4.0389    9.5390    0.1870 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
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 13 33  1  0  0  0
 14 15  2  0  0  0
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 22 23  1  0  0  0
 22 54  1  0  0  0
 23 25  1  0  0  0
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 26 27  1  0  0  0
 26 55  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
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 29 30  2  0  0  0
 29 56  1  0  0  0
 30 57  1  0  0  0
 31 58  1  0  0  0
 33 34  1  0  0  0
 34 59  1  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL348785

>  <PubChem CID>
44373782

>  <Formula>
C26H27ClN2O5

>  <Molecular Weight>
482.961000

>  <IUPAC Name>
3-chloro-N-[(E)-[3,5-dimethoxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]methylideneamino]-4-hydroxybenzamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2OC)C=NNC(=O)C3=CC(=C(C=C3)O)Cl)OC

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2OC)/C=N/NC(=O)C3=CC(=C(C=C3)O)Cl)OC

>  <InChI Std. ID>
InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+

>  <InChI Key>
ZGRAABYQGYPWLS-CCVNUDIWSA-N

