Molecule FYI-1014892

A

Molecule Summary:

ID: FYI-1014892
Names:
InChIKey: VGLHJIOZKVFQSR-UHFFFAOYSA-N
SMILES: COc4ccc(NC(=O)c2cn(c1ccccc1)nc2c3ccc(Br)cc3)cc4

Received at FYIcenter.com on: 2025-06-05

Molecule ID: FYI-1014892 Edit

Molecule Structure InChIKey: VGLHJIOZKVFQSR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(NC(=O)c2cn(c1ccccc1)nc2c3ccc(Br)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014892
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   14.8798    7.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    7.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    7.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    7.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    7.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    5.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    5.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    7.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    5.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014892-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
   -1.2772    6.9010    0.0066 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3440    1.2625   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2017   -1.4214    0.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043   -1.1182   -0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8236    0.1872    0.0047 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -1.0397   -0.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5605   -0.1220   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    0.7956   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615   -1.3571   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493    2.2292   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5222    2.9287   -1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952    2.9222    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0837   -1.1368   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1518   -4.4078    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
M  END
$$$$

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2025-06-21, 901👍, 0💬