Molecule FYI-1009293

A

Molecule Summary:

ID: FYI-1009293
Names:
InChIKey: ZPVIVBPMQAWOBC-UHFFFAOYSA-N
SMILES: O=C(COc1ccc(Cl)nc1)Nc3cc(c2cncc(F)c2)ncn3

Received at FYIcenter.com on: 2024-05-07

Molecule ID: FYI-1009293 Edit

Molecule Structure InChIKey: ZPVIVBPMQAWOBC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(COc1ccc(Cl)nc1)Nc3cc(c2cncc(F)c2)ncn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009293
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   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
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    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 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   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
   15.7617    2.8000    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  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  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 10  1  0  0  0  0
 23  8  2  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009293-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.0207   -0.2636   -0.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2409   -0.0663   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.2897   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131    2.1556    0.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357    3.3813    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4814    4.0047   -0.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    5.2701   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    5.8633    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496    7.4200   -0.1091 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    5.3023    1.2370 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    4.0786    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -1.1270    0.1992 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4385   -1.1408    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -2.3719    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160   -2.3822    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1967   -3.6217    0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5562   -3.6688    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3519   -4.7651    0.6603 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7704   -5.8803    1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4374   -5.9427    1.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9117   -7.0717    2.0007 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6430   -4.8127    1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027   -1.2388    0.9381 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4059   -0.0991    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1007    0.0036    0.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    1.7133   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232    1.1498   -1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9975    3.5476   -1.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    5.7753   -2.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    3.6450    2.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516   -1.9934    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -3.2865    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678   -2.7892    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -6.7425    1.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047   -4.8755    1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9446    0.8230    1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1504👍, 0💬