Molecule FYI-1001280

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A

Molecule Summary:

ID: FYI-1001280
SMILES: Cc1cc2N(CCCn2n1)C(=O)CCC(=O)Nc1ccc(nn1)-c1cccnc1

Received at FYIcenter.com on: 2022-04-27

Molecule ID: FYI-1001280 Edit

Molecule Structure SMILES String: Cc1cc2N(CCCn2n1)C(=O)CCC(=O)Nc1ccc(nn1)-c1cccnc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001280
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   16.9327    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2327    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8404    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8021    5.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    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  1  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001280-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.0693    0.0302   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495    0.1082   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579    1.2722   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6552    0.8156   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689    1.4955   -0.0099 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    0.7359    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342   -0.7871    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6629   -1.4465    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5507   -0.5398    0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925   -1.0051    0.0196 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126    2.9545   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8743    3.6071   -0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    3.5951   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668    5.1088    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5362    5.7595    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5710    5.0938   -0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5835    7.1209   -0.1275 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4791    7.9659   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3029    8.9051   -1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1544    9.6901   -1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    9.5577    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821    8.6433    1.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866    7.8272    0.9466 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   10.3614    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328   10.7599    1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   11.5360    1.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7423   11.8981    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   11.5374   -0.8979 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3015   10.7834   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    1.0308   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -0.4817    0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7225   -0.5152   -0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991    2.2904   -0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7130    1.0528    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    1.0235   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5905   -1.1506    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6080   -1.1831   -0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5538   -2.0817    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5616   -2.0893   -0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8259    3.2798   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.2591    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6196    5.4103    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6141    5.4470   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4649    7.4886   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9923    8.9815   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   10.3998   -1.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435   10.4680    2.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856   11.8519    2.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402   12.5030    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   10.5025   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  2  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 627👍, 0💬