Molecule FYI-1003098

A

Molecule Summary:

ID: FYI-1003098
Names:
InChIKey: GRWALKSXDIXIDU-UHFFFAOYSA-N
SMILES: N#Cc3ccc(c2cnc(N)c(c1cc(F)c(O)c(F)c1)c2)cc3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003098 Edit

Molecule Structure InChIKey: GRWALKSXDIXIDU-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3ccc(c2cnc(N)c(c1cc(F)c(O)c(F)c1)c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003098
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   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 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2433    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3000    0.0000 F   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
   13.5748    5.0652    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  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  4  1  0  0  0  0
 17  3  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
  9 22  1  0  0  0  0
 12 23  1  0  0  0  0
 20 24  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003098-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   -3.0418    0.0947   -0.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    0.0701   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    0.0409   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    1.0966    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    1.0691    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753   -0.0153    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -0.0406    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5294    0.5749    1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    0.6236    1.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250    0.0282    0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9928    0.1578    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0876   -0.6646   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160   -1.3318   -1.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1461   -1.9484   -1.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9534   -2.4872   -2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1496   -3.0022   -2.1082 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5467   -2.4851   -3.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3497   -3.0020   -4.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3131   -1.9418   -4.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8738   -1.9455   -5.3367 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5121   -1.3626   -3.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778   -0.6703   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -1.0719   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -1.0435   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.9519    0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    1.9283    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964    1.0672    2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0974    0.7485    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4713    0.5422   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5101   -2.0096   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1765   -3.2931   -4.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5740   -0.9186   -3.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073   -1.1782   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1872   -1.9492   -0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2394   -1.8775   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 797👍, 0💬