
 OpenBabel04291915463D

 75 80  0  0  0  0  0  0  0  0999 V2000
    8.1394   -2.7851    5.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6094   -2.7851    5.5602 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994   -3.4049    6.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6194   -3.4049    6.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976   -4.0097    8.0095 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1654   -4.4973    8.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994   -1.4017    5.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4706   -4.1238    8.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9182   -4.6900    9.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2385   -4.7998    9.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1112   -4.3433    8.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4315   -4.4531    8.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3432   -3.6674    7.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6299   -3.7345    7.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4229   -3.6342    7.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5373   -3.2598    6.5097 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0719   -2.6710    5.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9158   -2.2296    4.4491 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4976   -1.7006    3.3911 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3416   -1.2591    2.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1260   -0.0170    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    0.4395   -0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3190    0.3297   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7666   -0.2365    0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8940   -0.6929    1.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2821    0.8335   -1.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5411    1.4074   -2.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2125    1.9275   -3.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5411    2.4476   -4.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1981    2.4476   -4.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5267    1.9275   -3.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1981    1.4074   -2.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2347    1.9275   -3.8654 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.9480   -5.9064 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8655   -4.6867    9.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3874   -4.0830    8.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8674   -4.0840    8.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3607   -3.4442    6.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9407   -3.4452    6.8674 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4674   -2.8475    5.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8949   -4.8730    6.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828   -3.7921    5.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7828   -2.2293    6.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7428   -4.4119    6.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7428   -2.8490    7.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9761   -2.3979    6.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9761   -3.9607    5.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2189   -4.1737   10.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8124   -5.4488    9.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4427   -0.5760    5.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6347   -0.8002    4.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476   -5.0408   10.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4007   -4.6115    9.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1655   -3.2128    6.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5053   -3.3403    6.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5297   -1.6201    3.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6547    0.8746   -1.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7813   -0.3208    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8793   -0.6086    1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8972    0.0267   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8972    1.5896   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2445    1.9275   -3.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6821    2.8473   -5.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6821    1.0078   -2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2258   -5.0214   10.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7434   -3.0758    8.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5101   -3.5278    8.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5113   -5.0912    8.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7180   -4.0004    6.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -2.4370    6.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3339   -1.7897    5.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6897   -2.9658    4.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9479   -5.9377    7.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8387   -4.8138    6.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
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 41 75  1  0  0  0  0
M  END
>  <SKU>
A15801

>  <Product Name>
Entrectinib

>  <CAS>
1108743-60-7

>  <M.Wt>
560.6374664

>  <Formula>
C31H34F2N6O2

>  <Synonyms>
RXDX-101, RXDX-101, RXDX-101, NMS E628, NMS-E628, NMSE628

>  <URL>
https://www.adooq.com/entrectinib.html

$$$$
