Molecule FYI-1001954

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A

Molecule Summary:

ID: FYI-1001954
SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Received at FYIcenter.com on: 2023-01-05

Molecule ID: FYI-1001954 Edit

Molecule Structure SMILES String: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001954
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  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
    0.5124    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    9.6124    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  3  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  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 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  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
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001954-3D
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.7075    6.2033    3.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619    5.3541    3.5692 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1646    4.6705    2.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    4.7204    1.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    3.8536    2.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0391    3.7956    3.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592    3.0490    3.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048    2.3854    2.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0830    2.5302    1.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    3.2336    1.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5665    1.9760    0.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9253    1.9642    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211    0.8962   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7968    0.7748   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6941    1.7189   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1848    2.8200    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8072    2.9579    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1009    1.6183   -0.5384 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7834    0.6452   -1.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2692   -0.2261   -1.9254 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1621    0.7191   -1.0295 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9991   -0.2411   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8933   -0.5113   -3.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6421   -1.5395   -3.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4865   -2.3054   -2.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6158   -2.0171   -1.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8961   -0.9679   -0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3925   -3.6367   -3.4364 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.5133   -1.7965   -5.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6834   -0.9157   -5.7320 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.7028   -1.6931   -5.7577 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0206   -3.0312   -5.3922 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    6.6278    4.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075    5.6149    3.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    7.0036    2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116    5.2522    4.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6362    3.0021    4.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6055    1.7956    2.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    3.3152    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7476    0.1424   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1259   -0.0856   -1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8594    3.5778    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4369    3.8372    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6374    2.3826   -0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4214    0.9971   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2052    0.0765   -3.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2608   -2.6288   -0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9863   -0.7898    0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 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 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  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 28  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-30, 2835👍, 0💬