Molecule FYI-1003344

A

Molecule Summary:

ID: FYI-1003344
Names:
InChIKey: QMCMOUONWRNEQE-NSKAYECMSA-N
SMILES: CN(C1=CF=CC=C1/C=N/c4nc(Nc3ccc2NC(=O)Cc2c3)ncc4C(F)(F)F)S(C)(=O)=O

Received at FYIcenter.com on: 2023-06-02

Molecule ID: FYI-1003344 Edit

Molecule Structure InChIKey: QMCMOUONWRNEQE-NSKAYECMSA-N

Molecule Structure SMILES String: CN(C1=CF=CC=C1/C=N/c4nc(Nc3ccc2NC(=O)Cc2c3)ncc4C(F)(F)F)S(C)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003344
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.2497    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    7.6282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6745    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6745   11.1282    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621   11.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   11.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    9.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2083    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1282    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3745    8.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 33 32  2  0  0  0  0
 34 32  2  0  0  0  0
 35 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003344-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.0440   -0.2248    1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    0.5519    0.8276 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    0.8248   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453    1.9346   -1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343    1.9974   -2.3753 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    1.4895   -3.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    0.2649   -2.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   -0.0760   -1.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398   -1.3343   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -1.8448   -1.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -3.1174   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -4.1586   -0.8629 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1608   -5.4082   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -6.4767   -0.5286 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -7.6333    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637   -7.5426    1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8341   -9.8787    1.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303  -11.1202    2.4923 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069  -12.0192    1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316  -13.2034    1.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289  -11.4040    0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -9.9843    0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051   -8.8723   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4008   -4.6586   -0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.3488   -0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7505   -2.2677    0.4391 F   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  6 40  1  0  0  0  0
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 18 23  2  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1013👍, 0💬