Molecule FYI-1000449

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A

Molecule Summary:

ID: FYI-1000449
SMILES: N1CCN(CC1)C2C(F)=CC3=C(C2)N(C4CC4)C=C(C3(=O))C(=O)O

Received at FYIcenter.com on: 2021-07-03

Molecule ID: FYI-1000449 Edit

Molecule Structure SMILES String: N1CCN(CC1)C2C(F)=CC3=C(C2)N(C4CC4)C=C(C3(=O))C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000449
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000449-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    2.4580   -2.4309    1.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -1.2938    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602    0.0356    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3581   -0.0573   -0.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -1.1344    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -2.4876    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.0469   -1.6835 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4688   -1.1698   -2.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7923   -1.1986   -1.9797 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -2.1042   -3.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6326   -2.0904   -3.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980   -1.0422   -3.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3137    0.1608   -2.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -1.0361   -3.8185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -0.0886   -3.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350    0.4604   -4.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713    1.3845   -3.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790   -2.1525   -4.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -3.2489   -4.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373   -3.2592   -4.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566   -4.2310   -4.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440   -4.3819   -5.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5033   -3.1152    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1002   -5.3002   -5.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

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2022-11-16, 2290👍, 0💬