Molecule Editor

Molecule ID: FYI-1002453 Edit

Molecule Structure InChIKey: DCSUBABJRXZOMT-RBBKRZOGSA-N

Molecule Structure SMILES String: COc1cc(N)c(Cl)cc1C(=O)N[C@H]3CCN(CCCOc2ccc(F)cc2)CC3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002453
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
  3 33  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002453-3D
FYIcenter.com

 61 63  0     1  0  0  0  0  0999 V2000
   -6.9819    3.1523    0.8579 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6257    2.8159   -1.1129 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -2.2485   -2.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209   -1.0027    1.6801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697    1.8063   -1.9428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521   -1.6016   -0.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358   -0.8943    0.5446 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7439    0.0300   -0.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6181    0.3277    1.7947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    0.0751   -1.4065 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1972   -1.3169   -1.4891 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4956    1.0186   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6175   -1.8344   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9256    0.4334    0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -1.4170    1.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833   -2.5386    1.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7589    0.9135   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -2.0464    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612   -2.0749   -3.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0268    0.7531   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4200   -0.4966    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.8720   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -0.0508    0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6140   -0.6273    0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0214    1.7411    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4147    0.4915    1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588   -0.3888   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    1.2552    1.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1325   -2.8367    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    0.5800   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3030    2.2237    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9418    1.8862   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    0.4799   -2.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -1.2538   -2.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    1.9920   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    1.2024   -1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   -2.0352    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -2.8092   -0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638    0.3882    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525    1.1235    1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346   -0.6240    2.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1158   -1.7788    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -0.6260   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770   -2.8907    2.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -3.4037    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9439   -2.8725    0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -1.7269   -0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372   -1.1275   -3.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -2.8813   -3.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325   -2.1444   -3.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5219    2.8494   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9716   -1.5719    1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524   -1.3996   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0949    1.5237    2.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2095    1.1290    1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8879   -0.5852    2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973   -3.6043    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0794   -3.1335   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1884   -2.8160    1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3731    0.3166   -1.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3592    3.2406    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 32  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 17  2  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 43  1  0  0  0  0
  9 26  1  0  0  0  0
  9 55  1  0  0  0  0
  9 56  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 27 30  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  2  0  0  0  0
 28 54  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 32  2  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
M  END
$$$$