Molecule FYI-1003592

A

Molecule Summary:

ID: FYI-1003592
Names:
InChIKey: XMJKDGOWZBLCPA-ONEGZZNKSA-N
SMILES: Cc1cc(/C=C/C#N)cc(C)c1Oc4ccnc(Nc3ccc(N2CCS(=O)(=O)CC2)c(F)c3)n4

Received at FYIcenter.com on: 2023-07-07

Molecule ID: FYI-1003592 Edit

Molecule Structure InChIKey: XMJKDGOWZBLCPA-ONEGZZNKSA-N

Molecule Structure SMILES String: Cc1cc(/C=C/C#N)cc(C)c1Oc4ccnc(Nc3ccc(N2CCS(=O)(=O)CC2)c(F)c3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003592
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  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
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  9  4  2  0  0  0  0
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 35 18  2  0  0  0  0
 35 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003592-3D
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.1825    1.8228    2.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    1.8308    2.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606    1.3922    3.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    1.2146    3.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474    0.7272    5.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8261    1.0784    5.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1079    2.4533    0.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182    3.3659   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    3.1621   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    3.9297   -1.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    4.8055   -0.4520 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    4.9678    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3427    6.0035    2.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518    7.1825    2.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9843    7.5338    3.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0621    6.7101    2.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3790    7.0955    2.8764 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-29, 2163👍, 0💬