Molecule FYI-1005227

A

Molecule Summary:

ID: FYI-1005227
Names:
InChIKey: ZDQDOGQGMSYGOG-QGZVFWFLSA-N
SMILES: CCc3cnn4c(NCc1ccc[n+](O)c1)cc(N2CCNC[C@H]2CCO)nc34

Received at FYIcenter.com on: 2023-10-19

Molecule ID: FYI-1005227 Edit

Molecule Structure InChIKey: ZDQDOGQGMSYGOG-QGZVFWFLSA-N

Molecule Structure SMILES String: CCc3cnn4c(NCc1ccc[n+](O)c1)cc(N2CCNC[C@H]2CCO)nc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005227
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3937    6.5674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263   10.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  1  0  0  0
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  9  4  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005227-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
    3.6915    0.2043   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344    0.0789    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -0.7791    1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9367   -2.1760    1.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -2.6752    2.5657 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -1.5726    3.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -1.5185    4.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986   -2.6970    5.3093 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7699   -3.5466    5.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3852   -4.9195    4.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3677   -5.9065    4.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0269   -7.1671    3.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7022   -7.4282    3.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810   -6.4631    3.7888 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4482   -6.6860    3.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0755    2.4688    6.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    3.7814    6.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1523👍, 0💬