Molecule FYI-1004523

A

Molecule Summary:

ID: FYI-1004523
Names:
InChIKey: CFVYXXTWFCKPBK-UHFFFAOYSA-N
SMILES: COc2cc(N1CCN(C)CC1)ccc2Nc4nc(N)n(C(=S)Nc3c(Cl)cccc3Cl)n4

Received at FYIcenter.com on: 2023-09-12

Molecule ID: FYI-1004523 Edit

Molecule Structure InChIKey: CFVYXXTWFCKPBK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(N1CCN(C)CC1)ccc2Nc4nc(N)n(C(=S)Nc3c(Cl)cccc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004523
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862    8.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5014    7.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7549    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8936    6.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004523-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
    0.9843   -0.6132    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824   -0.1600   -0.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    0.4170    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    0.2846    2.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016    0.8739    3.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155    0.7097    4.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189    1.7829    5.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    1.1981    6.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768    0.0919    7.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1548    1.1664    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946    1.4264   -0.9490 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-16, 1383👍, 0💬