Molecule FYI-1000236

Home > Molecule

A

Molecule Summary:

ID: FYI-1000236
SMILES: NCc5ccc4OC3(CCN(C(=O)c2cc(C#Cc1ccccc1)co2)CC3)Cc4c5

Received at FYIcenter.com on: 2021-01-30

Molecule ID: FYI-1000236 Edit

Molecule Structure SMILES String: NCc5ccc4OC3(CCN(C(=O)c2cc(C#Cc1ccccc1)co2)CC3)Cc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1000236
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
   17.6428    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3428    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6428    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3428    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6428    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2428    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3060    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0271    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0271    6.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8146    7.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6022    6.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3897    7.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3897    8.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1773    6.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    7.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9616    6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    6.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    6.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    6.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    7.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    8.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6616    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0310    5.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6022    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8146    4.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1733    3.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5428    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2428    2.4249    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  2  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  3  0  0  0  0
 19 18  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  2  0  0  0  0
 24 19  1  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
 26 14  1  0  0  0  0
 27 11  1  0  0  0  0
 28 27  1  0  0  0  0
 28  8  1  0  0  0  0
 29  8  1  0  0  0  0
 30 29  1  0  0  0  0
 30  6  1  0  0  0  0
 31 30  2  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000236-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    3.3844   -0.9647    0.5678 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -0.0378    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934    1.3450   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    2.4572    0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244    3.7379    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571    3.8742   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099    5.0490   -0.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7906    4.6296   -1.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644    5.6576   -2.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415    5.3047   -3.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4844    5.2123   -2.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7485    5.7835   -2.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6321    5.7259   -1.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9682    6.4948   -3.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7517    7.6022   -4.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4951    7.9409   -5.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9861    9.0449   -6.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4025    9.9495   -6.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   10.9707   -7.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   11.9556   -8.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   12.9085   -9.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8976   12.8779   -9.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475   11.9035   -9.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2495   10.9505   -8.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6457    6.9880   -5.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3701    6.0698   -5.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116    4.3433   -1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    4.6144   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878    3.2498   -2.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4395    2.7964   -1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9205    1.5305   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -1.8607    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127   -0.6088    1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -0.0193    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -0.3910   -0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    2.3268    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    4.5930    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    6.6589   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    5.7197   -3.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4631    6.0778   -4.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    4.3410   -3.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3756    8.1236   -3.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0032   11.9783   -7.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8935   13.6699   -9.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2827   13.6121  -10.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7951   11.8803   -9.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9158   10.1883   -7.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1608    6.8288   -6.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398    4.4547   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3523    3.3096   -1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0567    5.5903   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8467    3.8823    0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    2.5761   -2.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525    3.3399   -3.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    0.6921   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  2  0  0  0  0
  4  5  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 31  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-02-17, 958👍, 0💬