Molecule FYI-1001145

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A

Molecule Summary:

ID: FYI-1001145
SMILES: C1=CC=CC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)N([H])C(CN([H])C4=CC=CC=C4)=O

Received at FYIcenter.com on: 2022-02-03

Molecule ID: FYI-1001145 Edit

Molecule Structure SMILES String: C1=CC=CC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)N([H])C(CN([H])C4=CC=CC=C4)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001145
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    0.0000    2.1000    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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  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
 23 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001145-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.9049   -1.2888   -0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0579   -0.5218   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816    0.8552   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497    1.4652   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309    0.7139   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -0.6624   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -1.4567   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -2.6859   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277   -0.7230   -0.5847 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733    0.6634   -0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    1.3578   -0.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1234    1.3442   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773    2.3883   -1.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5304    2.9900   -2.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6518    2.5669   -1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5082    1.5559   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    0.9813   -0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8949   -1.5009   -0.4419 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329   -1.8129   -1.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889   -2.1435    0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3382   -3.0359    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2967   -2.3794    1.7209 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895   -2.3054    2.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518   -2.6780    1.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4138   -3.0688    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8038   -3.2540    0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4521   -3.0335    1.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181   -2.5985    3.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3386   -2.4102    2.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -1.9301    1.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -2.3623   -0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.9954    0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    1.4581   -0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    2.5420   -0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264    2.7421   -2.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    3.8040   -2.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6216    3.0234   -1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3672    1.2204    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896    0.2559    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263   -3.1940   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0356   -4.0034    1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611   -3.2094   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3820   -3.5573   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5252   -3.1802    2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2113   -2.3930    4.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928   -2.0431    3.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  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 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  2  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

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2022-04-13, 793👍, 0💬