Molecule FYI-1000310

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Molecule Summary:

ID: FYI-1000310
SMILES: Cn1ccnc(c1=O)NC(=O)[C@@H]2CC(=O)N(C2)CCc3ccccc3

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000310 Edit

Molecule Structure SMILES String: Cn1ccnc(c1=O)NC(=O)[C@@H]2CC(=O)N(C2)CCc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000310
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   13.2833    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709    7.6456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8585    9.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6460    9.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6460    7.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8585    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8585    5.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    6.9456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2211    7.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2211    9.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    7.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    6.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    5.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624    5.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    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
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000310-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
   -1.9164    1.2360   -0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115    0.4871    0.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    0.9126    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322    0.2130    1.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -0.9655    1.5607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.4264    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676   -0.6671   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -1.1248   -1.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618   -2.6454   -0.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962   -3.6174    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -3.7496    1.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -4.6365    0.1271 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7529   -4.0001   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243   -4.2643   -2.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -3.8193   -2.9192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707   -5.1637   -2.1598 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842   -5.6152   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -6.0117   -3.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -6.5274   -3.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497   -5.4234   -4.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -4.5345   -5.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -3.4933   -5.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346   -3.3352   -4.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9978   -4.2212   -3.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124   -5.2649   -3.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    2.0971   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629    0.5759   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935    1.5806   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.8219    1.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603    0.5604    2.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8740   -2.8368   -1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -5.2074    0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721   -4.5262   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638   -2.9317   -0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994   -6.6159   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929   -5.6754   -0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -6.8676   -3.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -5.4691   -4.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299   -7.1659   -2.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -7.1735   -4.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -4.6379   -5.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844   -2.8004   -6.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -2.5170   -4.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905   -4.0981   -2.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -5.9488   -2.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 32  1  1  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2948👍, 0💬