Molecule FYI-1007152

A

Molecule Summary:

ID: FYI-1007152
Names:
InChIKey: LCKYYDUXASUWGV-UHFFFAOYSA-N
SMILES: O=C(O)C4CCCN(C(=O)Cn3nc(c1cccc2ccccc12)ccc3=O)C4

Received at FYIcenter.com on: 2024-02-05

Molecule ID: FYI-1007152 Edit

Molecule Structure InChIKey: LCKYYDUXASUWGV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C4CCCN(C(=O)Cn3nc(c1cccc2ccccc12)ccc3=O)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007152
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    6.2673    8.4236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831    7.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990    8.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1307    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1307    8.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1307    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990    9.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831   10.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    9.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514   10.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    5.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    5.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    1.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    1.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5624    5.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5624    8.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1307    9.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    3.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148    2.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831    3.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831    6.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148   10.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831   11.9335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    7.8031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    8.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395    4.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    2.8079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    6.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    7.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512    7.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007152-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
   -6.8973    0.7535    0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -0.7573   -0.8303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    0.8988   -0.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853    3.0959   -1.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886   -1.0970    0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3527    1.5077    0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7926    0.9135    0.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2826   -0.7584    1.0391 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6076   -2.0940    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8269   -0.6787    1.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5667   -2.4841   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -2.4167   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7819   -0.3656    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6016    0.3776    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762    0.9871    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713    2.5341   -0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    1.3303    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.6958    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376   -0.4359   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    2.3944   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    2.9650   -1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352   -0.9852    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    1.2776    1.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336   -1.0346   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5392   -0.3866    1.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    0.7375    2.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935   -2.1170   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7021   -2.1587   -1.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799   -2.6988   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9170   -0.6383    1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6405   -2.8774    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999   -2.0654   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6035    0.3269    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720   -1.3633    2.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -3.4968   -1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.8111   -1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0264   -3.1546    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297   -2.6559   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191    1.6453    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360    0.8950    1.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1255    1.4959   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    2.6857   -1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    3.7563   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615    2.1533    2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.6472   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4602   -0.7919    1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4479    1.1907    3.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4135   -2.5561    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248   -2.6127   -2.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219   -3.5740   -1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 41  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 28  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 906👍, 0💬