Molecule FYI-1001615

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A

Molecule Summary:

ID: FYI-1001615
SMILES: CN1N=C(C(=C1N2C=C(C=N2)C3=CC(C(=O)NC4(CC4)C#N)=C(Cl)C=C3)C(F)(F)F)C(F)(F)C(F)(F)F

Received at FYIcenter.com on: 2022-10-04

Molecule ID: FYI-1001615 Edit

Molecule Structure SMILES String: CN1N=C(C(=C1N2C=C(C=N2)C3=CC(C(=O)NC4(CC4)C#N)=C(Cl)C=C3)C(F)(F)F)C(F)(F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001615
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.5887   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2572   10.2185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1246   11.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920   10.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8246    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6475    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4801    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0475    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730    4.1046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5599    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5599    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    6.9315    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    6.6217    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    8.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6605   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    9.3196    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   10.3601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694   12.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   12.3116    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0783   13.3899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7294    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  3  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 12  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
 31  4  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001615-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.5804   -1.4011    2.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639   -0.7750    0.8768 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2709    0.5133    0.6429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    0.8360   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714   -0.2645   -0.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977   -1.2983   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -2.6188   -0.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960   -3.2873   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -4.5919   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943   -4.6183    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -3.4316    0.9488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839   -5.6287   -1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -6.9641   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188   -8.0023   -1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387   -9.3814   -1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648   -9.5336   -0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355  -10.4468   -2.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467  -11.8021   -2.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7870  -12.4542   -0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861  -12.8658   -1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2099  -12.1960   -3.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792  -12.5231   -4.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6431   -7.6650   -2.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7221   -8.7955   -3.0206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0776   -6.3321   -2.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3025   -5.3228   -1.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.2629   -2.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665    0.9521   -2.7262 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -1.1339   -3.0905 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3309   -0.6214   -1.8056 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419    2.2082   -1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    2.6714   -0.8307 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    2.0938   -2.4738 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946    3.2557   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    2.7365    0.1150 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671    4.2670    0.0528 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128    3.8374   -1.7194 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.7065    2.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220   -2.2927    1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997   -1.6300    2.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368   -2.8149   -1.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889   -5.4490    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -7.2067   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3597  -10.2771   -2.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9426  -11.8602    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581  -13.1486   -0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588  -12.5623   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775  -13.8562   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0262   -6.0646   -2.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6813   -4.3023   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 42  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  3  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 428👍, 0💬