Molecule Editor

Molecule ID: FYI-1002683 Edit

Molecule Structure InChIKey: BDUHCSBCVGXTJM-PLYLYKGUSA-N

Molecule Structure SMILES String: COc5ccc(C3=NC(c1ccc(Cl)cc1)[C@@H](c2ccc(Cl)cc2)N3C(=O)N4CCNC(=O)C4)c(OC(C)C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002683
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
   13.8702    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6557    3.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    3.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0441    4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    5.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980    6.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6514    7.9568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7094    9.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336   10.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9633   11.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9982   13.3726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.5378    4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6433    3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3517    1.8051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0181    1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7265    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9759    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    6.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    7.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    8.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6557    7.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414   10.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    5.8610    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 17 18  1  6  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
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 30 29  1  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
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 34 28  1  0  0  0  0
 35  6  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 35  2  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002683-3D
FYIcenter.com

 70 74  0     1  0  0  0  0  0999 V2000
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   -0.6982   -2.4759    1.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    2.1978   -0.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -3.4461    4.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4885   -0.7076   -2.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.6572    0.2619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    0.9048   -1.4201 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -1.3386    1.6202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -1.1923    4.0917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -0.4623    0.1082 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.4941    2.0104   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5048   -0.1130   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.0368    1.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1502   -2.4675    2.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7009   -2.9583   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2794    3.4525    0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0178   -3.8542   -1.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    0.7536   -1.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$