Molecule FYI-1001761

A

Molecule Summary:

ID: FYI-1001761
SMILES: FC(F)(F)OC1C=C(C=C(C=1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(C(C)(C)F)N=2)S(=O)(=O)C(F)F

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

Molecule ID: FYI-1001761 Edit

Molecule Structure SMILES String: FC(F)(F)OC1C=C(C=C(C=1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(C(C)(C)F)N=2)S(=O)(=O)C(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001761
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    8.9139    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6387    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6387    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1512    7.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2761    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001761-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    4.3628   -1.1808    0.1866 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708   -1.4799    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8158   -2.2153    1.4455 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -2.2327   -0.7308 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5239   -0.3405    0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    0.8985    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340    1.2888   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5894   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    3.5236    0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    3.1464    1.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    1.8335    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    4.1499    2.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558    5.0389    2.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    4.0222    2.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5538    4.9455    3.5988 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5061    4.3529    5.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    5.2003    3.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2905    5.9726    2.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    6.7734    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    6.9673    1.5671 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026    7.7470    0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8604    8.3404   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1736    8.0881   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9831    7.3205    0.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0762    5.1818    2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5541    4.9576    3.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1684    4.0808    1.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3131    6.2883    3.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7672    4.3141    4.2583 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0645    3.0655   -1.4252 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6147    1.8644   -2.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 48  1  0  0  0  0
 25 26  2  0  0  0  0
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 35 55  1  0  0  0  0
M  END
$$$$

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2022-12-14, 564👍, 0💬