Molecule FYI-1000208

Home > Molecule

A

Molecule Summary:

ID: FYI-1000208
SMILES: Cc3ccc(NC(=O)c2ccc(CN1CCN(C)CC1)cc2)cc3Nc5nccc(c4cccnc4)n5

Received at FYIcenter.com on: 2020-12-22

Molecule ID: FYI-1000208 Edit

Molecule Structure SMILES String: Cc3ccc(NC(=O)c2ccc(CN1CCN(C)CC1)cc2)cc3Nc5nccc(c4cccnc4)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1000208
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 22  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
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 18  2  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 35 16  1  0  0  0  0
 36  5  1  0  0  0  0
 37 36  1  0  0  0  0
 37  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000208-3D
FYIcenter.com

 68 72  0  0  0  0  0  0  0  0999 V2000
    2.5276    0.0739   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -0.0000    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    1.1968   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455    1.2582   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    0.1168    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2119    0.1015    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295    1.1838   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559    2.3196   -0.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5021    0.9450   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1054   -0.0236    0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4913   -0.1925    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3020    0.6316   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8140    0.5284   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2505    0.8086    1.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9037    2.1766    1.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3127    2.4257    3.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7408    2.1873    3.4712 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5746    3.2456    2.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1194    0.8569    2.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6904    0.5721    1.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6999    1.6217   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3086    1.7728   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146   -1.0894    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -1.1528    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -2.3693    0.8324 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811   -3.3183    1.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445   -4.3946    1.9932 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -5.1919    3.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -4.9301    3.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269   -3.8173    3.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620   -3.3313    4.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286   -1.9738    4.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930   -1.5331    5.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760   -2.4676    5.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760   -3.7819    5.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -4.1750    5.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126   -3.0432    2.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939    0.9652   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138   -0.7788   -0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384    0.1611    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776    2.1187   -0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    2.2257   -0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6449   -0.8048    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5303   -0.6165    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9579   -0.9324    1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0876   -0.4992   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3130    1.1884   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3704    2.9189    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8218    2.3380    1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0291    3.4448    3.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7190    1.7625    3.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2750    4.2206    3.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6202    3.0966    3.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5292    3.3015    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2008    0.7061    3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6539    0.1008    3.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2838    1.1909    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9271   -0.4753    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3043    2.3058   -1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    2.5610   -1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -1.9905    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9468   -2.3077    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   -6.0592    3.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3725   -5.5522    4.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677   -1.2449    3.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689   -0.4858    5.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0061   -2.1755    6.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6530   -5.2451    5.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  2  0  0  0  0
 10 11  2  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  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
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 26 37  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  2  0  0  0  0
 29 64  1  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  2  0  0  0  0
 32 33  2  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 66  1  0  0  0  0
 34 35  2  0  0  0  0
 34 67  1  0  0  0  0
 35 36  1  0  0  0  0
 36 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-07-25, 1328👍, 0💬