Molecule FYI-1003320

A

Molecule Summary:

ID: FYI-1003320
Names:
InChIKey: FPRIJQPVILKLNC-SWLSCSKDSA-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-1003320 Edit

Molecule Structure InChIKey: FPRIJQPVILKLNC-SWLSCSKDSA-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-1003320
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
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  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
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 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-1003320-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
    3.6864   -1.9909   -3.2955 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0914   -1.4750   -2.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255   -0.7878   -1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    0.4618   -1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8262    1.1613   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.4363   -0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6066    3.4379    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2836    4.6048    0.3123 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9398    4.7938   -0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9458    3.8993   -1.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    4.0718   -3.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9696    5.3952   -3.6496 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7220    6.1821   -4.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1470    7.1035   -5.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4789    6.5704   -5.7267 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4729    6.3840   -7.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    7.5092   -7.9683 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7143    5.3210   -7.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7424    5.2642   -4.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499    2.7025   -1.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7296    0.5769    0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1052   -0.6602    1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -1.3453    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -2.5733    0.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562    0.8861   -2.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    3.3410    1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    5.7242   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5769    5.9692   -2.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3379    6.7647   -3.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9113    5.5245   -4.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2883    8.1238   -4.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3603    7.1512   -5.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2774    7.2858   -5.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    7.4077   -8.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    8.3825   -7.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131    5.1347   -4.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164    4.3884   -5.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    1.9527   -2.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0602   -1.0731    2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414   -2.8627    1.1803 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 12  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 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  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, 649👍, 0💬