Molecule FYI-1004564

A

Molecule Summary:

ID: FYI-1004564
Names:
InChIKey: LDQFXDBMWXNHLR-UHFFFAOYSA-N
SMILES: COc3cc(N2CCN(N1CCN(C)CC1)CC2)ccc3Nc5ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n5

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004564 Edit

Molecule Structure InChIKey: LDQFXDBMWXNHLR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(N2CCN(N1CCN(C)CC1)CC2)ccc3Nc5ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004564
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2743   16.8003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
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 31 32  1  0  0  0  0
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 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004564-3D
FYIcenter.com

 81 85  0     0  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2041👍, 0💬