Molecule FYI-1003322

A

Molecule Summary:

ID: FYI-1003322
Names:
InChIKey: FPRIJQPVILKLNC-WFASDCNBSA-N
SMILES: N#Cc3cc(c2cncc(N[C@H]1CC[C@H](C(N)=O)C1)c2)ccc3O

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003322 Edit

Molecule Structure InChIKey: FPRIJQPVILKLNC-WFASDCNBSA-N

Molecule Structure SMILES String: N#Cc3cc(c2cncc(N[C@H]1CC[C@H](C(N)=O)C1)c2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003322
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
   10.7522    9.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    4.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    2.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    1.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003322-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
   10.1111    3.6063  -12.5555 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8686    3.2465  -11.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7645    2.8317  -10.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3413    2.9117   -9.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1945    2.5810   -8.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7682    2.7765   -6.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    1.9766   -5.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8663    2.1346   -4.5544 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0579    3.1819   -4.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5974    4.1003   -5.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8348    5.2450   -4.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0468    5.9171   -3.6534 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4818    6.4366   -3.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5129    7.7185   -4.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0641    8.2217   -4.4280 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9263    9.6500   -3.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6547   10.5752   -4.6231 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2009    9.9966   -3.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    7.2167   -3.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9198    3.8362   -6.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4791    2.1089   -8.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9047    2.0009   -9.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0538    2.3818  -10.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4866    2.3270  -12.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258    3.2540   -9.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8970    1.1467   -6.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8070    3.2685   -3.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8496    5.0743   -5.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7627    5.2625   -2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494    5.7361   -3.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7010    6.6707   -2.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8661    7.4988   -5.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2131    8.4368   -3.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7171    8.2027   -5.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5801   11.5424   -4.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2633   10.3399   -5.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2280    7.1084   -4.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1540    7.5423   -2.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5607    4.5358   -7.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875    1.8422   -7.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9069    1.6331  -10.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4322    2.1016  -12.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 11  1  0  0  0  0
 12 29  1  1  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2375👍, 0💬