Molecule FYI-1013521

A

Molecule Summary:

ID: FYI-1013521
Names:
InChIKey: CRYREZQIBRGXPP-UHFFFAOYSA-N
SMILES: Fc6ccc(c3nc2sc(Cc1ccc(Cl)cc1)nn2c3Cc4c[nH]c5ccccc45)cc6

Received at FYIcenter.com on: 2024-12-25

Molecule ID: FYI-1013521 Edit

Molecule Structure InChIKey: CRYREZQIBRGXPP-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc6ccc(c3nc2sc(Cc1ccc(Cl)cc1)nn2c3Cc4c[nH]c5ccccc45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1013521
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.1331    5.5658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638    5.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    7.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8964    7.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    9.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6985    9.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6352    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026    7.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    7.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    7.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    7.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9768    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768    5.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305    4.1734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094    3.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463    4.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    5.8569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4320    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8039    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265    0.5041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    9.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   10.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   11.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   11.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    9.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493   13.2962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013521-3D
FYIcenter.com

 51 56  0     0  0  0  0  0  0999 V2000
    6.7416    1.5279    0.9852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7587   -3.7249    0.7165 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4838    0.3843    0.4496 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1768   -1.6999   -0.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    3.4846    0.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8109   -2.6094    0.7566 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981   -1.6590   -0.9148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    0.3136   -1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614   -0.9067   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    1.6018   -0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -1.4888    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    2.2656   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -2.6824    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2535    3.4441    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1536    2.3757   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6050   -1.0050    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044   -2.6768   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    1.9761   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368   -3.0184   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933    4.3513    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    2.8742   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -1.8820   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -0.9160   -0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1241   -0.6242    1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0431    4.0432    0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7062   -0.4461   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4342   -0.1545    1.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.6261    1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -1.0834   -1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2253   -0.0654    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1231   -0.5716    1.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609   -0.0289   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    0.2270    0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    0.3191   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.2064   -2.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245    2.2415   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    4.2263    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    1.0745   -1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4260   -3.9216   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.2534   -1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951    5.2615    1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    2.6580   -0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -1.2201   -1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -0.6855    2.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    4.7270    0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235   -0.3795   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8387    0.1424    2.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8363   -2.2419    1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4373   -1.2694   -2.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082   -0.3839    2.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9101    0.5862   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 37  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 14 20  2  0  0  0  0
 15 36  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 25  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  2  0  0  0  0
 21 42  1  0  0  0  0
 22 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 27  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 30  2  0  0  0  0
 26 46  1  0  0  0  0
 27 30  1  0  0  0  0
 27 47  1  0  0  0  0
 28 31  1  0  0  0  0
 28 48  1  0  0  0  0
 29 32  2  0  0  0  0
 29 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 630👍, 0💬