Molecule FYI-1006269

A

Molecule Summary:

ID: FYI-1006269
Names:
InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N
SMILES: COc3ccc(S(=O)(=O)Nc1cccnc1Nc2ccc(O)cc2)cc3

Received at FYIcenter.com on: 2023-12-07

Molecule ID: FYI-1006269 Edit

Molecule Structure InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(S(=O)(=O)Nc1cccnc1Nc2ccc(O)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006269
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.6762    6.7348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4935    8.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8588    5.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   10.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858    1.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918    5.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    4.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5076    1.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    7.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918    4.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5076    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4635    1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006269-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    2.9635   -0.6770   -1.4243 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022   -1.1877   -2.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   -0.7875   -0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736   -3.4206    1.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6562    0.5651   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    0.9534   -1.4143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386    1.6794   -0.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555    2.5065    1.3498 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922   -1.5004   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893    1.5634   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    1.9252    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -2.0143   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156   -1.6134    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    1.8107    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126    1.3967   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4021   -2.6630   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
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 24 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

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2023-12-14, 630👍, 0💬