Chemical Structure Search

Mrv1572004081619192D

21 22  0  0  0  0            999 V2000
    2.1572    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527    1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -0.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -0.8210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1523    2.5022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715    1.2778    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790    2.1766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4381   -1.2340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -2.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -0.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -2.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715   -2.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  1  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11 14  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
 13 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END

DB06731 Score: 1.0	Seproxetine 126924-38-7 investigational	C₁₆H₁₆F₃NO Mono mass: 295.118398628
DB00472 Score: 0.938	Fluoxetine 54910-89-3 approved vet_approved	C₁₇H₁₈F₃NO Mono mass: 309.134048818
DB08472 Score: 0.938	(R)-Fluoxetine 100568-03-4 experimental	C₁₇H₁₈F₃NO Mono mass: 309.134048818
DB08544 Score: 0.938	(S)-Fluoxetine 100568-02-3 experimental	C₁₇H₁₈F₃NO Mono mass: 309.134048818
DB00289 Score: 0.734	Atomoxetine 83015-26-3 approved	C₁₇H₂₁NO Mono mass: 255.162314299

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