Molecule FYI-1009852

A

Molecule Summary:

ID: FYI-1009852
Names:
InChIKey: OVBPIULPVIDEAO-UHFFFAOYSA-N
SMILES: Nc3nc2ncc(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)nc2c(=O)[nH]3

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009852 Edit

Molecule Structure InChIKey: OVBPIULPVIDEAO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc2ncc(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)nc2c(=O)[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009852
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
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 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 24  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009852-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
    7.8639    2.1057   -1.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2499    1.4582    2.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603    1.7886   -2.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689   -3.5749   -0.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2061   -2.6225    0.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5890    2.3275    0.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6696   -1.2894   -0.8254 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8998   -0.1291    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7887   -1.3355   -0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    1.0998    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.8124    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5722    1.6850   -1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2712    0.2734    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5216   -0.4032    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    0.4195    1.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871    0.9359   -0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    0.1500    1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 31  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$

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2024-05-29, 155👍, 0💬