Molecule FYI-1004283

A

Molecule Summary:

ID: FYI-1004283
Names:
InChIKey: QQDRTXBMQPUOBB-UHFFFAOYSA-N
SMILES: NCc4nc3ccc(NC(=O)c1cccc2cc(O)ccc12)cc3[nH]4

Received at FYIcenter.com on: 2023-08-25

Molecule ID: FYI-1004283 Edit

Molecule Structure InChIKey: QQDRTXBMQPUOBB-UHFFFAOYSA-N

Molecule Structure SMILES String: NCc4nc3ccc(NC(=O)c1cccc2cc(O)ccc12)cc3[nH]4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004283
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6373    8.4000    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   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 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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    9.3368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   11.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083   11.8281    0.0000 N   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  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  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 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20  5  2  0  0  0  0
 20  1  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  2 23  1  0  0  0  0
  1 21  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004283-3D
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.2911   -0.2164    1.5440 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4948    0.0327    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620   -1.1883   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -1.2236   -1.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464   -2.5505   -1.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5295   -3.1489   -3.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976   -4.5454   -3.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -5.3476   -2.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -6.7621   -2.3436 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940   -7.5527   -3.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173   -7.1463   -4.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395   -9.0327   -3.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -9.5023   -2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151  -10.8649   -2.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6956  -11.7734   -2.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9048  -11.3404   -3.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8583  -12.2935   -3.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658  -11.8915   -4.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0029  -12.7954   -4.7779 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3515  -10.5485   -4.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -9.5916   -4.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570   -9.9515   -3.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245   -4.7522   -1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563   -3.3532   -1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -2.4573   -0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413    0.6478    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -0.3572    1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2285    0.8367   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    0.3709   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716   -2.5381   -3.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436   -4.9721   -4.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570   -7.2321   -1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -8.8184   -2.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7780  -11.2239   -2.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005  -12.8362   -2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6468  -13.3525   -3.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6646  -13.6915   -4.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2965  -10.2374   -4.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6795   -8.5468   -4.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741   -5.3400   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -2.6635    0.5853 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
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  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 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2125👍, 0💬