Molecule FYI-1009126

A

Molecule Summary:

ID: FYI-1009126
Names:
InChIKey: ARQFIMHMALCUKN-UHFFFAOYSA-N
SMILES: O=C5Cc4cc(CCN3CCN(c1nsc2ccccc12)CC3)c(O)cc4N5

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009126 Edit

Molecule Structure InChIKey: ARQFIMHMALCUKN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C5Cc4cc(CCN3CCN(c1nsc2ccccc12)CC3)c(O)cc4N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1009126
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    8.2781    8.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9153    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4905    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2468    8.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 28  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009126-3D
FYIcenter.com

 50 54  0     0  0  0  0  0  0999 V2000
    6.7948    1.8680   -0.0906 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -2.3554   -0.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1172    0.5350    0.5699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874    0.8515   -0.1194 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407    0.8788    0.0127 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641    2.1559   -0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2722   -0.9201    0.4854 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    1.5184    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -0.3162   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669    1.9915    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0951   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5355    0.9897   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732   -0.0788   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 221👍, 0💬