Molecule FYI-1002384

A

Molecule Summary:

ID: FYI-1002384
Names:
InChIKey: IFTJEMBCNXZLST-UHFFFAOYSA-N
SMILES: CN(C1CC1)S(=O)(=O)c5ccc(c4cnc(N)c(c3ccc2C(=O)NCCc2c3)n4)cc5

Received at FYIcenter.com on: 2023-03-13

Molecule ID: FYI-1002384 Edit

Molecule Structure InChIKey: IFTJEMBCNXZLST-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C1CC1)S(=O)(=O)c5ccc(c4cnc(N)c(c3ccc2C(=O)NCCc2c3)n4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002384
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8493    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   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
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
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 18 17  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
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 27 15  2  0  0  0  0
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 30 29  2  0  0  0  0
 30 13  1  0  0  0  0
 31 12  1  0  0  0  0
 32 31  2  0  0  0  0
 32  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002384-3D
FYIcenter.com

 55 59  0     1  0  0  0  0  0999 V2000
   -5.9069    0.1278    0.0775 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2918    0.2953    1.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7449   -0.6747   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425    2.7598    1.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6845    1.6889   -0.6487 N   0  0  1  0  0  0  0  0  0  0  0  0
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    0.6330   -1.2171    0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -3.9715   -0.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571   -3.5464    0.0554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467    2.5753    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7029   -1.5752    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0281    1.4518   -2.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476    1.1908    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-13, 1820👍, 0💬