Molecule FYI-1001757

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A

Molecule Summary:

ID: FYI-1001757
SMILES: FC(F)(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(N=C(N)N=2)C3=NC=CC=N3)S(=O)(C)=O

Received at FYIcenter.com on: 2022-11-21

Molecule ID: FYI-1001757 Edit

Molecule Structure SMILES String: FC(F)(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(N=C(N)N=2)C3=NC=CC=N3)S(=O)(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001757
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    8.7423    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4672    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4672    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0463    4.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    7.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    8.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    9.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   10.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    7.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6796    6.1124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3796    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9796    7.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 15 14  1  6  0  0  0
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 20 19  2  0  0  0  0
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 25 24  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29  8  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001757-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    6.3462   -0.3311   -2.2461 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3317   -0.8723   -1.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0650   -2.1788   -1.2951 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4782   -0.7815   -2.2147 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5323   -0.2232   -0.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5579    0.5516    0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1999    0.5253   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    1.4085    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    2.3071    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1487    2.2982    1.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207    1.4177    1.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042    3.1540    3.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050    3.4245    3.9743 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9046    3.5883    3.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    4.3496    4.1782 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1685    3.3841    5.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4232    5.3600    3.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7676    6.5578    4.2187 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    7.2917    3.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6942    6.4665    2.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4440    6.7192    1.2775 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0274    5.2882    2.4233 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4772    7.0124    5.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8505    6.1627    6.3900 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7002    6.5588    7.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1234    7.7768    8.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7192    8.5920    7.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9127    8.2372    5.9202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.3822    0.2380 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0765    2.7142    0.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6493    4.8575    4.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3941   -0.6915    1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491    0.2051    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 20 21  1  0  0  0  0
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 29 32  2  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1852👍, 0💬