Molecule FYI-1014589

A

Molecule Summary:

ID: FYI-1014589
Names:
InChIKey: QOOMFGUVMNROLL-UHFFFAOYSA-N
SMILES: Cc4oc3c2CN(Cc1ccc(F)cc1)COc2ccc3c(=O)c4c5ccccc5

Received at FYIcenter.com on: 2025-05-01

Molecule ID: FYI-1014589 Edit

Molecule Structure InChIKey: QOOMFGUVMNROLL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4oc3c2CN(Cc1ccc(F)cc1)COc2ccc3c(=O)c4c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014589
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    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
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014589-3D
FYIcenter.com

 50 54  0     1  0  0  0  0  0999 V2000
   -5.7908    4.0481    1.1572 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751   -3.6139    0.1752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.2277   -0.5994 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9373   -1.7450    0.9006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505   -1.4958   -0.3634 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8809   -0.8873   -0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011   -1.6373   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752   -1.0560   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -2.9622    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -2.9394   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2726   -0.8952   -1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6459   -1.7787    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058   -3.6792    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -3.0887    0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -1.1450    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6783    0.4256   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0728    0.2518   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    0.8421   -0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787    0.9282   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6396    0.4681    0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0929    1.6067   -0.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960    2.2415   -1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2539    0.8292   -1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414    1.6685    1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0154    1.6918    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4687    2.8304   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4299    2.8729    0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4919    1.4705   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    2.3098    1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546    2.2107    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9855    0.2556   -1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700    1.7548    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7633    1.7254    1.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1735    1.3934   -1.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2618    2.8862    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8184    2.7100    0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
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 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 26  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 28  1  0  0  0  0
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 24 29  2  0  0  0  0
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 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1269👍, 0💬