Molecule FYI-1001246

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A

Molecule Summary:

ID: FYI-1001246
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-1001246 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-1001246
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    4.9423    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    5.6000    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
    6.1547    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    3.5000    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
    4.9423    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    0.0000    0.0000 O   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    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    8.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776   10.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0699   10.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8928   11.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233   13.2522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310   13.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081   12.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4547    9.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    8.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579    6.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579    6.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    8.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    8.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   10.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116   10.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    8.9132    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-1001246-3D
FYIcenter.com

 49 53  0  0  1  0  0  0  0  0999 V2000
    1.1826    0.3215    0.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918   -0.0490    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025   -1.3070    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3745   -2.0080    1.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590   -3.1880    2.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302   -3.4847    3.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215   -4.5641    3.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4403   -5.3644    3.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5425   -5.0896    1.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3278   -5.8395    1.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522   -4.0238    1.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961    0.6544   -0.8604 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2681    0.1838   -1.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    1.1202   -2.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8680    1.1247   -3.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012    0.0054   -2.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8681    0.0468   -3.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418    1.1099   -4.4599 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4153    2.1779   -4.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2254    2.2347   -3.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    2.2080   -2.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    1.9565   -1.3945 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7393    2.9948   -0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107    3.2381    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    4.2690    1.4403 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    4.7168    1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596    5.7500    1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288    5.9808    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872    5.2031   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    4.1754   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6781    3.9274   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330   -1.6073    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642   -1.6777    2.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110   -2.8629    4.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5287   -4.7714    5.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9835   -6.1881    3.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7448   -6.5416    1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9567   -3.8527    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4564   -0.8769   -2.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5554   -0.7944   -3.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7498    3.0178   -5.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072    3.1240   -3.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247    1.8967   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586    2.7499    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018    4.6507    2.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    6.3538    2.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    6.7766    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    5.3922   -0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787    3.5743   -1.4978 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
  8 36  1  0  0  0  0
  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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 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, 428👍, 0💬