Molecule FYI-1004224

A

Molecule Summary:

ID: FYI-1004224
Names:
InChIKey: TWBSPQVVSGKNOA-UHFFFAOYSA-N
SMILES: O=C(Cc1ccccc1)Nc4cccc(NC(=O)c2cccc3cc(O)ccc23)c4

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004224 Edit

Molecule Structure InChIKey: TWBSPQVVSGKNOA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccccc1)Nc4cccc(NC(=O)c2cccc3cc(O)ccc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004224
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2808    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 19  7  2  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  3  1  0  0  0  0
 23  1  2  0  0  0  0
  1 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004224-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.5718    0.0655    1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.5463    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701   -0.6600   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529    0.5786   -0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    0.4247   -1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    1.5362   -2.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884    2.8194   -2.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582    2.9898   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    1.8781   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -1.1514   -0.7384 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495   -1.2550   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2847   -0.7559    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6631   -0.8813    0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4212   -1.5395   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -2.1017   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380   -2.8398   -2.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9170   -3.0311   -2.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7354   -2.4995   -1.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4407   -4.0560   -3.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557   -4.7948   -2.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0872   -5.8387   -3.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4133   -6.2554   -4.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3129   -5.5273   -5.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6830   -5.9606   -6.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8615   -3.7702   -6.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4223   -1.9508   -1.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9256   -2.3799   -2.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
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  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
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 19 29  2  0  0  0  0
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 27 48  1  0  0  0  0
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 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2413👍, 0💬