Molecule FYI-1010233

A

Molecule Summary:

ID: FYI-1010233
Names:
InChIKey: BPQLVJQJUQFBCJ-UHFFFAOYSA-N
SMILES: O=C(Nc2nc1ccccc1s2)c6ccc(N5CCN(c3ccc(Cl)cc3)C4(CC4)C5)cc6.Cl

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010233 Edit

Molecule Structure InChIKey: BPQLVJQJUQFBCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc1ccccc1s2)c6ccc(N5CCN(c3ccc(Cl)cc3)C4(CC4)C5)cc6.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1010233
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5124    7.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000   12.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   13.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0324    6.2865    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 21  7  1  0  0  0  0
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 23  3  1  0  0  0  0
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 33 28  1  0  0  0  0
 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010233-3D
FYIcenter.com

 58 62  0  0  0  0  0  0  0  0999 V2000
    1.7105   -0.5834   -0.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827   -0.1362   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0133    1.1837   -0.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3089    2.0823   -1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    1.6947   -1.9982 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592    2.7631   -2.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    2.6824   -3.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    3.8665   -4.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8256   -3.3389    1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9981   -2.9439    2.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3335   -6.1496    3.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1756   -5.8756    4.9203 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940   -6.9292    5.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0832   -6.6670    6.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-07-11, 1658👍, 0💬