Molecule FYI-1006285

A

Molecule Summary:

ID: FYI-1006285
Names:
InChIKey: ZPXMXQSBKKTDDF-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1ccccc1)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006285 Edit

Molecule Structure InChIKey: ZPXMXQSBKKTDDF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1ccccc1)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006285
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   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
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    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
   11.9523    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3218    4.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    6.2693    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829   10.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   11.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829   10.0531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    1.2125    2.8000    0.0000 C   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006285-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -3.2844   -1.9130    2.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1740   -0.8639   -1.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1185    3.2516   -0.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3447    0.1019   -1.5475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -0.3419    0.4544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1003    1.2111   -0.9208 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286   -2.0263   -0.6437 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9459   -0.5443    0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3642    0.4010    0.6132 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1941   -0.0267   -0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7345   -1.4030    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6204   -2.8622    1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.2648   -0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -3.0695    0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -2.5110   -1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2159    2.9117   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    2.9142    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0622   -0.2637    1.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177    1.8399   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9829    3.8041   -0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9034    3.8077    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 18  2  0  0  0  0
  4 23  2  0  0  0  0
  5  9  1  0  0  0  0
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  9 30  1  0  0  0  0
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 17 37  1  0  0  0  0
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 29 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1003👍, 0💬