Molecule FYI-1007540

A

Molecule Summary:

ID: FYI-1007540
Names:
InChIKey: JGLUXTFIRPYAQV-PBHICJAKSA-N
SMILES: C[C@H]5SCc4ncnc(N3CCN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)CC3)c45

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007540 Edit

Molecule Structure InChIKey: JGLUXTFIRPYAQV-PBHICJAKSA-N

Molecule Structure SMILES String: C[C@H]5SCc4ncnc(N3CCN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)CC3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007540
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
   11.9152    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6242    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2318    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6624    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0062    3.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.3157    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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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 25  1  0  0  0  0
 19 30  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007540-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
    2.0907    0.6812   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3885   -0.1125   -0.6210 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6512    0.9612    0.1643 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   -0.0808    1.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -1.2894    1.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073   -2.2187    2.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0798   -3.2289    2.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -3.3976    1.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512   -2.4735    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -2.7534   -1.1296 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-07, 177👍, 0💬