Molecule FYI-1004183

A

Molecule Summary:

ID: FYI-1004183
Names:
InChIKey: ONLHPJQPOFTKGM-UHFFFAOYSA-N
SMILES: CN(C)c3ccc(N(CC(=O)NCc1ccccc1)C(=O)Cc2ccc(C(=O)NO)cc2F)cc3

Received at FYIcenter.com on: 2023-08-21

Molecule ID: FYI-1004183 Edit

Molecule Structure InChIKey: ONLHPJQPOFTKGM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc(N(CC(=O)NCc1ccccc1)C(=O)Cc2ccc(C(=O)NO)cc2F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004183
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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  1  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 27 19  1  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004183-3D
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
    2.3740    1.0632   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -0.2344   -0.5369 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -0.9089   -1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.9389    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272   -0.4459    1.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -1.1506    2.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8014   -2.4066    2.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.1045    3.7753 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129   -2.4420    4.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8931   -2.0014    5.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -1.8700    6.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610   -1.6611    6.3902 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8174   -1.2605    7.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8523   -2.4161    8.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2040   -3.6883    8.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4044   -4.7371    9.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1079   -4.5989   10.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7504   -3.3451   11.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6641   -2.2499   10.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2508   -4.4948    3.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3619   -5.0751    3.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530   -5.3293    4.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -5.9893    5.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275   -5.5418    6.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810   -5.9267    7.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -6.7792    8.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -6.9562    9.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0776   -7.5518   10.6665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2045   -6.3721   10.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152   -6.4378   11.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334   -7.3476    8.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863   -6.9274    6.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631   -7.2955    6.6966 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715   -2.9178    1.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -2.1924    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    1.4778   -1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    1.7945    0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.9848    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184   -0.2812   -2.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425   -1.8272   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -1.1453   -2.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765    0.5138    2.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2153   -0.7062    3.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741   -1.5333    3.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5403   -3.1200    3.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565   -1.8541    5.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9302   -0.6450    7.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7119   -0.6459    7.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3669   -3.8780    7.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7969   -5.6744    8.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830   -5.4639   11.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789   -3.2227   12.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4676   -1.2681   10.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8349   -4.7341    5.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600   -6.1147    4.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974   -4.8321    5.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -5.4740    7.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444   -5.7710    9.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584   -6.9343   11.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6819   -7.9783    8.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2283   -3.8763    1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479   -2.6366   -0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  2  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  2  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  2  0  0  0  0
 24 25  2  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 348👍, 0💬