BIX01294 3HCl.cdx
csChFnd80/03141313372D

 39 40  0  0  0  0  0  0  0  0999 V2000
    8.2031    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2031    6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4155    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4155    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2031    7.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658    9.5964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7782   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906    9.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7782    7.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3533   11.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   13.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3533   14.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658   13.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0528    3.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2652    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0528    6.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2652    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7782    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8647    1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722    1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722    2.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2837    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    4.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   18.9981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.9981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    9.2758    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 19  1  0  0  0  0
 12 18  1  0  0  0  0
 11 15  1  0  0  0  0
 25 26  1  0  0  0  0
  8 25  1  0  0  0  0
 27 28  1  0  0  0  0
  7 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 32 36  1  0  0  0  0
  2 29  1  0  0  0  0
M  END
>  <Mol_ID> (1)
115

>  <Formula> (1)
C28H41Cl3N6O2

>  <MolWeight> (1)
600.02314

>  <Item Name> (1)
BIX01294

>  <Catalog Number> (1)
S8006

>  <Synonyms> (1)
N/A

>  <Target> (1)
Methyltransferase

>  <URL> (1)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (1)
1392399-03-9, 935693-62-2 (free base)

$$$$
