Molecule FYI-1003602

A

Molecule Summary:

ID: FYI-1003602
Names:
InChIKey: IGBYJCPKLBCLIG-UHFFFAOYSA-N
SMILES: Nc5nc4cc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncsn2)cc3F)ccc4[nH]5

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003602 Edit

Molecule Structure InChIKey: IGBYJCPKLBCLIG-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc5nc4cc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncsn2)cc3F)ccc4[nH]5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003602
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0012    7.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4180    7.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0415    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9248   11.3116    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 12 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003602-3D
FYIcenter.com

 48 52  0  0  0  0  0  0  0  0999 V2000
   -0.7329   -2.9087   -3.5392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843   -2.1308   -2.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -2.0523   -2.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813   -1.0234   -1.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5649   -0.4408   -1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.7399   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868    1.5196   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868    1.4856   -1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696    2.2181   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1541    2.0871   -2.2239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    3.0702    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1446    2.3978    2.1087 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949    2.7152    3.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1985    2.5859    5.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    2.1178    5.6300 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    3.4477    5.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8954    3.7877    7.6293 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    4.1616    8.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7115    2.7086    8.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7739    5.2225    7.5051 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0966    5.1736    7.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
 35 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1602👍, 0💬