Molecule FYI-1000260

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Molecule Summary:

ID: FYI-1000260
SMILES: C=C(C=NC1=NC=C(C(F)(F)F)N=C1)[NH+](C)CC1=NC(=C)CC=C1N1N=CC=N1

Received at FYIcenter.com on: 2021-02-12

Molecule ID: FYI-1000260 Edit

Molecule Structure SMILES String: C=C(C=NC1=NC=C(C(F)(F)F)N=C1)[NH+](C)CC1=NC(=C)CC=C1N1N=CC=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000260
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.1796    3.3695   -2.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    2.5500   -1.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    2.0648   -1.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201    1.2623   -0.2593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940    0.8096   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692    1.1844   -0.8931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1990    0.7433   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4766   -0.1068    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8827   -0.6061    0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0642   -1.8007   -0.1396 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1100    2.5429    1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9153    1.2707    2.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610   -0.8403    2.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  7 34  1  0  0  0  0
 14 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
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 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000260-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.5436   -0.7495    0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324    0.2050   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032    1.5726    0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    2.5932   -0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    3.8401    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    3.8665    1.8492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838    5.0949    2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390    6.2764    1.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    7.5909    2.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581    7.4520    3.8371 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704    8.2106    2.4757 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    8.4951    2.0322 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9930    6.2461    0.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839    5.0206   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    0.0003   -1.3320 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1529   -0.8550   -2.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3652   -0.4417   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2642   -0.0587   -2.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743    0.6636   -3.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3731    1.0476   -4.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913    1.8920   -5.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    0.5314   -4.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620   -0.1985   -3.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 15  1  0  0  0  0
  3  4  2  3  0  0  0
  3 32  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
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 25 29  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 47  1  0  0  0  0
M  END
$$$$

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2021-03-07, 2661👍, 0💬