Molecule FYI-1003321

A

Molecule Summary:

ID: FYI-1003321
Names:
InChIKey: FPRIJQPVILKLNC-DOMZBBRYSA-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-1003321 Edit

Molecule Structure InChIKey: FPRIJQPVILKLNC-DOMZBBRYSA-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-1003321
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  6  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-1003321-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
   10.2839    3.5110  -12.5471 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0201    3.1412  -11.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9003    2.7233  -10.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4603    2.8058   -9.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3056    2.4904   -8.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8682    2.6895   -6.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3519    1.9148   -5.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300    2.0849   -4.5012 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1651    3.0884   -4.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5881    3.9354   -5.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7795    5.0145   -4.8639 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7755    5.6745   -3.5649 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1090    6.3737   -3.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    7.7210   -4.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5350    7.9803   -4.2806 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2126    7.9912   -5.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8200    8.9730   -6.4950 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    7.2022   -6.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993    6.8524   -3.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9689    3.7117   -6.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5962    2.0211   -8.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0361    1.9030   -9.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1943    2.2769  -10.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6419    2.2207  -12.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4384    3.1368   -9.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0481    1.0973   -5.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    3.1876   -3.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2123    5.4231   -5.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5166    4.9586   -2.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9874    5.8081   -3.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2174    6.5468   -2.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6144    7.6882   -4.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4544    8.5067   -3.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2275    8.9536   -3.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5909    9.5194   -6.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6605    8.9693   -7.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8225    6.6071   -3.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6342    7.1597   -2.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822    4.3891   -7.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3008    1.7626   -7.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0405    1.5355  -10.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875    1.9952  -12.2364 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 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  1  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, 1704👍, 0💬