
 CHEMBL2087410

 66 68  0  0  0  0  0  0  0  0999 V2000
    0.1927    1.1644    0.3058 C   0  0  0  0  0
    0.5344    2.4537    1.0045 C   0  0  0  0  0
    1.6033    3.2805    0.5991 C   0  0  0  0  0
    1.9078    4.4396    1.3234 C   0  0  0  0  0
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    0.0859    3.9868    2.8517 C   0  0  0  0  0
   -0.2156    2.8246    2.1385 C   0  0  0  0  0
   -0.5827    4.4349    3.9572 O   0  0  0  0  0
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    2.6109    2.8081   -0.7987 S   0  0  0  0  0
    3.3804    1.6619   -0.3658 O   0  0  0  0  0
    1.7648    2.7510   -1.9733 O   0  0  0  0  0
    3.7200    4.1016   -1.0538 N   0  0  0  0  0
    4.9328    3.6591   -1.7900 C   0  0  0  0  0
    3.1058    5.3256   -1.6696 C   0  0  0  0  0
    3.9349    6.5723   -1.3312 C   0  0  0  0  0
    3.0737    7.6980   -1.1499 O   0  0  0  0  0
    3.7936    8.9226   -1.2034 C   0  0  0  0  0
    2.9586   10.1460   -0.8091 C   0  0  0  0  0
    2.6030   10.9369   -1.6887 O   0  0  0  0  0
    2.6639   10.3522    0.5361 N   0  0  0  0  0
    1.9026   11.5417    0.8901 C   0  0  0  0  0
    2.9125    9.3836    1.6079 C   0  0  0  0  0
    4.1836    9.6466    2.3889 C   0  0  0  0  0
    4.2261   10.6255    3.3923 C   0  0  0  0  0
    5.4007   10.8605    4.1161 C   0  0  0  0  0
    6.5586   10.1252    3.8456 C   0  0  0  0  0
    6.5252    9.1398    2.8568 C   0  0  0  0  0
    5.3440    8.8966    2.1458 C   0  0  0  0  0
    7.7949   10.3984    4.6251 C   0  0  0  0  0
    7.7478   11.0427    5.7664 N   0  0  0  0  0
    9.1611   11.1020    6.2324 C   0  0  0  0  0
    9.9580   10.1630    5.3263 C   0  0  0  0  0
    9.0458    9.9964    4.2213 N   0  0  0  0  0
    0.0046    1.3292   -0.7580 H   0  0  0  0  0
   -0.7175    0.7161    0.7188 H   0  0  0  0  0
    1.0010    0.4381    0.4337 H   0  0  0  0  0
    2.7481    5.0717    1.0583 H   0  0  0  0  0
    1.3689    5.7064    2.9800 H   0  0  0  0  0
   -1.0418    2.1903    2.4468 H   0  0  0  0  0
   -1.5740    3.9037    5.6617 H   0  0  0  0  0
   -0.5589    2.6205    4.9892 H   0  0  0  0  0
   -2.1296    3.0596    4.2128 H   0  0  0  0  0
    5.4440    2.8607   -1.2439 H   0  0  0  0  0
    5.6468    4.4838   -1.8730 H   0  0  0  0  0
    4.6783    3.3138   -2.7963 H   0  0  0  0  0
    2.0811    5.4620   -1.3091 H   0  0  0  0  0
    3.0432    5.2067   -2.7579 H   0  0  0  0  0
    4.6508    6.7632   -2.1395 H   0  0  0  0  0
    4.4964    6.4281   -0.4008 H   0  0  0  0  0
    4.1347    9.0794   -2.2344 H   0  0  0  0  0
    4.6872    8.8869   -0.5767 H   0  0  0  0  0
    1.8208   12.2465    0.0585 H   0  0  0  0  0
    2.3886   12.0582    1.7200 H   0  0  0  0  0
    0.8952   11.2361    1.1878 H   0  0  0  0  0
    2.9398    8.3695    1.2007 H   0  0  0  0  0
    2.0548    9.3963    2.2932 H   0  0  0  0  0
    3.3427   11.2123    3.6328 H   0  0  0  0  0
    5.4103   11.6260    4.8899 H   0  0  0  0  0
    7.3971    8.5347    2.6359 H   0  0  0  0  0
    5.3408    8.0991    1.4079 H   0  0  0  0  0
    9.5208   12.1334    6.1494 H   0  0  0  0  0
    9.2315   10.7929    7.2803 H   0  0  0  0  0
   10.1380    9.2010    5.8170 H   0  0  0  0  0
   10.9124   10.5958    5.0144 H   0  0  0  0  0
    9.1497    9.1723    3.6480 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 15  1  0  0  0
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 24 29  1  0  0  0
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 27 30  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
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 30 31  2  0  0  0
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 31 32  1  0  0  0
 32 33  1  0  0  0
 32 62  1  0  0  0
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 34 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2087410

>  <PubChem CID>
57342847

>  <Formula>
C24H32N4O5S

>  <Molecular Weight>
488.603000

>  <IUPAC Name>
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OC)S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC)S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3

>  <InChI Std. ID>
InChI=1S/C24H32N4O5S/c1-18-15-21(32-4)9-10-22(18)34(30,31)28(3)13-14-33-17-23(29)27(2)16-19-5-7-20(8-6-19)24-25-11-12-26-24/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,26)

>  <InChI Key>
DQWSFMHZKZGDJV-UHFFFAOYSA-N

