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
   -4.0855    1.8796    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1219   -1.0355   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -1.8418    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345   -1.4030    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4005    2.6267    0.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2108    0.1781   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548   -1.2376   -1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    2.4194   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    3.8363   -0.7284   -0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368    0.6192    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8171    0.6217    1.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363    1.7642   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5969    1.7692    1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -4.9210   -0.0073    1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566   -0.1557   -1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028    0.9852   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4796    2.0273    1.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5249    2.3080   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2053    3.6990    1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9566    2.2896    1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061   -0.6115   -1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956    1.0638   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807   -3.4806    2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2385   -3.8647    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251   -3.5865   -1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -2.0470   -2.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741   -2.6516    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258   -1.3382    0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4381    1.7713    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1 14  2  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4 23  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 38  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 43  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 44  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  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
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  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
 29 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 331👍, 0💬