Molecule FYI-1005578

A

Molecule Summary:

ID: FYI-1005578
Names:
InChIKey: SPGRXIUFZUKQJH-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(C(=O)O)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005578 Edit

Molecule Structure InChIKey: SPGRXIUFZUKQJH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(C(=O)O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005578
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   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
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
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  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 11  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  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005578-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   -1.4349   -1.5397   -1.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528   -1.8205   -1.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -3.0507   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965   -3.3513   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -4.4997    0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -2.2786    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216   -0.9821   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    0.0314    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    1.3697   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    2.2498    0.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    3.7193    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    4.2407    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    4.1346    1.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816    4.6462    2.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994    5.2573    3.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487    5.3566    3.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    4.8486    2.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    4.3557   -1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    3.6078   -2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    4.2054   -3.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0907    5.5624   -3.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    6.3338   -2.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204    5.7378   -1.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163    1.6095   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7850   -0.7302   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6194    6.3489   -0.6673 H   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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  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
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  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
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 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1676👍, 0💬