Molecule FYI-1001247

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A

Molecule Summary:

ID: FYI-1001247
SMILES: O=C(/C=C\\c1cccc(O)c1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12

Received at FYIcenter.com on: 2022-04-11

Molecule ID: FYI-1001247 Edit

Molecule Structure SMILES String: O=C(/C=Cc1cccc(O)c1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001247
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    4.9423    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776    9.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0699    9.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8928   10.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233   11.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310   11.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081   10.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4547    8.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579    5.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579    5.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    7.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    9.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    8.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    7.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  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
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 23  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001247-3D
FYIcenter.com

 49 53  0  0  1  0  0  0  0  0999 V2000
    1.1377    0.5443   -0.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176   -0.0362   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8114   -0.4184    1.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039    0.0446    2.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270   -0.2239    3.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3133   -0.3901    3.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8915   -0.6247    5.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876   -0.6792    6.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -0.4854    6.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -0.5158    7.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299   -0.2528    4.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898   -0.3577   -1.1633 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -1.1194   -1.1257 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4407   -1.2576   -2.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5978   -1.9869   -2.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4484   -2.6547   -2.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5378   -3.3204   -2.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8226   -3.3557   -3.8770 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807   -2.7024   -4.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8629   -2.0111   -4.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298   -0.6862   -3.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277   -0.0242   -2.5222 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6599    1.4586   -2.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    2.3308   -2.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    3.5958   -2.7926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433    3.5796   -3.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2587    4.6329   -3.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0155    4.3242   -4.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2730   -2.6607   -0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2333   -3.8592   -1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2389   -2.7500   -5.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2273   -1.5064   -4.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -0.4595   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8716    4.4285   -2.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    5.6559   -3.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    5.1206   -4.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    2.7950   -4.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    0.9579   -3.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  3  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
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 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$

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2022-05-01, 699👍, 0💬