Molecule Editor

Molecule ID: FYI-1002452 Edit

Molecule Structure InChIKey: XJOLRAVQCKHOFH-LADGPHEKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002452
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
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    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
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    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 C   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-1002452-3D
FYIcenter.com

 64 66  0  0  1  0  0  0  0  0999 V2000
    6.4230   -0.5983   -7.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4325   -0.7962   -6.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    0.2122   -6.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147    1.1596   -7.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120    2.2247   -7.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    3.2484   -8.2789 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.3488   -6.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    3.6784   -5.9016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.3973   -5.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9419   -0.2389   -3.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -1.6488   -3.8164 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4535   -2.4405   -2.5634 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5338   -3.6579   -2.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -4.3270   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4886   -4.6881   -0.6194 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269   -5.9906   -1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1535   -6.5167   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130   -6.6216    1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977   -7.1284    2.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5141   -7.3528    3.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2980   -7.0625    4.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -7.3619    5.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$