Molecule FYI-1003224

A

Molecule Summary:

ID: FYI-1003224
Names:
InChIKey: FSXVPTTYXPAFKW-UHFFFAOYSA-N
SMILES: Cc1[nH]c(=O)ccc1N4CN(c2ccc(F)c(O)c2C)c3cc(Cl)c(F)cc3C4=O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003224 Edit

Molecule Structure InChIKey: FSXVPTTYXPAFKW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1[nH]c(=O)ccc1N4CN(c2ccc(F)c(O)c2C)c3cc(Cl)c(F)cc3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003224
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.1243    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
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 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003224-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.0667   -3.0674    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -1.5938    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -0.7659    0.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039    0.6039    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930    1.3025    0.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    1.2024    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    0.3998    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -1.0496    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -1.8344   -0.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773   -1.6132   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789   -2.8651   -1.9866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5785   -2.8040   -3.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0637   -4.0336   -5.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589   -3.0327   -6.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526   -3.1434   -7.5616 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1589   -1.8966   -5.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7187   -0.9169   -6.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1198   -1.7424   -4.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6680   -0.4514   -3.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483   -3.9636   -1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4971   -5.1567   -1.6584 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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  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
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  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
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 29 30  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1615👍, 0💬