Molecule FYI-1003105

A

Molecule Summary:

ID: FYI-1003105
Names:
InChIKey: KGFLZAFBXBLXNP-UHFFFAOYSA-N
SMILES: CNc4ccc3[nH]nc(Cc2ccc(c1cnn(C)c1)cc2)c3c4

Received at FYIcenter.com on: 2023-05-12

Molecule ID: FYI-1003105 Edit

Molecule Structure InChIKey: KGFLZAFBXBLXNP-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc4ccc3[nH]nc(Cc2ccc(c1cnn(C)c1)cc2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003105
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.6140    0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    0.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9202    1.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2896    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2263    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937    3.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5570    5.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23  9  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 24  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003105-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.3830    3.1457    3.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1076    2.8444    2.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3892    2.9002    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191    3.7651    0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    3.8388   -0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1102    2.9783   -1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    2.8017   -2.9374 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3252    1.8169   -3.5975 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1998    1.3281   -2.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    0.1740   -3.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3897   -1.1219   -2.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4983   -1.7672   -3.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0301   -3.4804   -1.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812   -4.6421   -1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062   -5.7052   -2.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7656   -6.8225    0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673   -4.9338   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
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  9 10  1  0  0  0  0
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 24 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1985👍, 0💬