ATI-2341.cdx
csChFnd80/12261610212D

158159  0  0  0  0  0  0  0  0999 V2000
    3.6351   10.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.2483   28.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8479   31.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5412   34.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4671   35.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8543   35.1595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.0994   36.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9297   34.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4126   37.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4880   36.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6577   38.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9708   38.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0449   37.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7998   36.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3580   38.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7451   31.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0880   35.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8205   30.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9924   32.8137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.7629   35.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9170   33.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1540   35.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3212   37.3670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.3034   33.2949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8751   29.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7997   29.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1869   29.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.4341   30.9551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.0426   27.8463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.9665   28.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2622   28.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6541   28.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5801   29.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0798   25.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1585   24.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3249   27.2318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6381   27.7135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5797   32.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6584   31.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2495   28.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4214   30.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4887   29.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477   11.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593   10.5016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8482   12.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727   11.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    9.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724   12.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   13.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857   13.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    6.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    8.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    4.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4838    9.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708    7.0007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.0063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    6.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    6.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    4.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6948    4.1996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6952    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9082    4.9006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1194    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3323    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9087    6.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6971    7.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213    7.0017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1217    8.4031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1833    6.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9718    7.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3329    6.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7592    6.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5462    7.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1232   11.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3343    9.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098   10.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348   10.5041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5459    8.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    9.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6479   10.9859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6969   11.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1981   12.8492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8849   12.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8177   13.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2721   11.9487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4432   14.2261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0343   10.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5853   12.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7564   14.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8304   13.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0022   16.0860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3133   16.5672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0933   19.2565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9222   16.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1592   18.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3310   20.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5524   17.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8642   18.4318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4804   18.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1093   19.8088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9396   17.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2520   18.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9169   27.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4225   20.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5998   26.6232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4978   19.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9923   26.2105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6574   21.6499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1581   28.4819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9753   22.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7539   24.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5834   22.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8212   23.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2084   23.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5208   23.9949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1344   24.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5995   23.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7666   25.3731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3625   21.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0506   21.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4378   20.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6906   32.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3795   32.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0838   32.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.7706   31.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1484   31.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9025   30.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4615   32.0516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   41.5369   31.1504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.2568   35.2918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   40.6985   33.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0117   33.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5699   35.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9280   30.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0857   33.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.2411   31.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.3071   30.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.6283   30.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.6943   29.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.0155   30.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.0828   29.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.4019   29.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.4739   29.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.7951   29.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.8611   28.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.1823   29.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.5687   28.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.6415   27.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5504   13.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 14 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 22 17  1  0  0  0  0
 20 17  2  0  0  0  0
 23 17  1  0  0  0  0
 19 21  1  6  0  0  0
 24 19  1  0  0  0  0
 22 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 27 31  1  1  0  0  0
 30 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 36 40  1  6  0  0  0
 39 38  1  0  0  0  0
 41 39  1  0  0  0  0
 42 40  1  0  0  0  0
 42 41  1  0  0  0  0
 44 43  1  6  0  0  0
 45 43  2  0  0  0  0
 46 44  1  0  0  0  0
 47 44  1  0  0  0  0
 48 46  1  0  0  0  0
 49 48  1  0  0  0  0
 50 48  1  0  0  0  0
 53 51  2  0  0  0  0
 55 51  1  0  0  0  0
 57 51  1  0  0  0  0
 56 52  1  0  0  0  0
 54 52  2  0  0  0  0
 59 55  1  0  0  0  0
 56 60  1  1  0  0  0
 58 56  1  0  0  0  0
 61 59  1  0  0  0  0
 61 60  1  0  0  0  0
 47 52  1  0  0  0  0
 63 62  2  0  0  0  0
 64 62  1  1  0  0  0
 65 64  1  0  0  0  0
 66 64  1  0  0  0  0
 67 65  1  0  0  0  0
 68 67  2  0  0  0  0
 69 67  1  0  0  0  0
 72 68  1  0  0  0  0
 70 69  2  0  0  0  0
 71 70  1  0  0  0  0
 72 71  2  0  0  0  0
 73 71  1  0  0  0  0
 58 62  1  0  0  0  0
 75 74  2  0  0  0  0
 76 74  1  0  0  0  0
 77 76  1  0  0  0  0
 76 80  1  1  0  0  0
 79 78  1  0  0  0  0
 81 79  1  0  0  0  0
 82 80  1  0  0  0  0
 82 81  1  0  0  0  0
 66 74  1  0  0  0  0
 85 83  1  0  0  0  0
 86 83  1  6  0  0  0
 86 84  1  0  0  0  0
 87 84  2  0  0  0  0
 88 85  2  0  0  0  0
 90 85  1  0  0  0  0
 89 86  1  0  0  0  0
 77 84  1  0  0  0  0
 92 91  1  0  0  0  0
 94 91  1  0  0  0  0
 95 91  1  0  0  0  0
 93 92  2  0  0  0  0
 94 96  1  1  0  0  0
 97 94  1  0  0  0  0
 89 92  1  0  0  0  0
 99 98  2  0  0  0  0
100 98  1  0  0  0  0
101100  1  0  0  0  0
100103  1  6  0  0  0
104102  1  0  0  0  0
105102  1  0  0  0  0
104103  1  0  0  0  0
 95 98  1  0  0  0  0
107106  1  0  0  0  0
108106  2  0  0  0  0
109107  1  0  0  0  0
107110  1  1  0  0  0
111110  1  0  0  0  0
101106  1  0  0  0  0
114112  2  0  0  0  0
116112  1  0  0  0  0
118112  1  0  0  0  0
117113  1  0  0  0  0
115113  2  0  0  0  0
120116  1  0  0  0  0
117121  1  6  0  0  0
119117  1  0  0  0  0
122120  1  0  0  0  0
122121  1  0  0  0  0
109113  1  0  0  0  0
124123  1  0  0  0  0
125123  2  0  0  0  0
124126  1  1  0  0  0
127124  1  0  0  0  0
128126  1  0  0  0  0
129128  1  0  0  0  0
130128  1  0  0  0  0
119123  1  0  0  0  0
 34127  1  0  0  0  0
 25 37  1  0  0  0  0
 16 28  1  0  0  0  0
  4 24  1  0  0  0  0
132131  2  0  0  0  0
134131  1  0  0  0  0
134133  1  0  0  0  0
  8131  1  0  0  0  0
136135  2  0  0  0  0
137135  1  0  0  0  0
138137  1  0  0  0  0
137140  1  6  0  0  0
141139  1  0  0  0  0
142139  1  0  0  0  0
141140  1  0  0  0  0
133135  1  0  0  0  0
  3138  1  0  0  0  0
  3143  1  0  0  0  0
  3144  2  0  0  0  0
143145  1  0  0  0  0
145146  1  0  0  0  0
146147  1  0  0  0  0
147148  1  0  0  0  0
148149  1  0  0  0  0
149150  1  0  0  0  0
150151  1  0  0  0  0
151152  1  0  0  0  0
152153  1  0  0  0  0
153154  1  0  0  0  0
154155  1  0  0  0  0
  2155  1  0  0  0  0
  2156  1  0  0  0  0
156157  1  0  0  0  0
  1 43  1  0  0  0  0
 91158  1  6  0  0  0
M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C104H178N26O25S2

>  <MolWeight> (1)
2256.81532

>  <Item Name> (1)
ATI-2341

>  <Catalog Number> (1)
S8309

>  <Synonyms> (1)
N/A

>  <Target> (1)
CXCR

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ati-2341.html

>  <CAS Number> (1)
1337878-62-2

$$$$
