Molecule FYI-1007791

A

Molecule Summary:

ID: FYI-1007791
Names:
InChIKey: CPKVHELJRVCNIJ-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc2ccccc2N3CCOCC3)n4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007791 Edit

Molecule Structure InChIKey: CPKVHELJRVCNIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc2ccccc2N3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007791
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007791-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    5.8450   -0.2677    0.2173 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4306   -0.6255   -2.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    0.4130   -0.2754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011   -0.9760    0.7673 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0132   -1.1140    0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.2980   -0.2301 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480   -3.2334    0.4284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9601    0.3004    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939    0.4629   -1.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6204   -0.8228   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425   -0.6695   -2.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440    1.0556    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.3784    1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8601    2.3929    0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498    1.0382    1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    3.0527    1.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    2.3755    2.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -1.7330    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -3.0798    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942   -1.9123    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -3.7874    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    0.0273   -0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9097    0.5166   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600    0.8524   -1.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2293    1.8308   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794    2.1667   -1.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2642    2.6560   -1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4669    1.2488   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399    1.4298   -2.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229    0.3736   -1.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2196   -1.8024   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6972   -0.8348   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2119    0.5307    2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1747    2.8888    2.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165   -3.5641    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -4.8516    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008   -1.9165   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.5024   -1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    2.2113   -0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    2.8066   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5136    3.6786   -1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 43  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1523👍, 0💬