Molecule FYI-1002534

A

Molecule Summary:

ID: FYI-1002534
Names:
InChIKey: FKGFEJVOLZNGPU-ZOWNYOTGSA-M
SMILES: O=C[O-].Cn5c(=O)ccc4ccc(F)c(CCNC[C@H]3CN(c2cnc1OCC(=O)Nc1n2)C(=O)O3)c45

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002534 Edit

Molecule Structure InChIKey: FKGFEJVOLZNGPU-ZOWNYOTGSA-M

Molecule Structure SMILES String: O=C[O-].Cn5c(=O)ccc4ccc(F)c(CCNC[C@H]3CN(c2cnc1OCC(=O)Nc1n2)C(=O)O3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002534
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
   18.7784    5.7460    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.4784    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7784    8.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    3.1785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    1.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6053    0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    1.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    2.3365    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2281   13.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5739   13.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9126   11.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2584   11.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9056   11.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8753   13.1549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8683   12.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4604    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  6  0  0  0
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 36 26  1  0  0  0  0
 37 15  2  0  0  0  0
 37  5  1  0  0  0  0
 37 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002534-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    0.9584   -0.0419    0.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.0924    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    1.0934    0.3562 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2014   11.3455    4.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747   11.4206    5.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9999   12.6925    6.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2676   13.7194    5.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8154   12.8262    7.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899   11.7690    8.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908   10.4382    8.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0836    6.5961    6.6808 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752    8.9162    6.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0297    7.1356    4.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
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 10 37  2  0  0  0  0
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M  END
$$$$

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2023-04-13, 496👍, 0💬